data_2yt8_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 2yt8 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' VAL . . . . . 0.426 HG23 ' CE ' ' A' ' 83' ' ' MET . 66.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -84.6 129.4 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -120.39 125.57 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . . . -117.6 155.73 29.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -124.43 116.67 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 25.1 mm -94.48 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -102.12 100.16 10.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -107.58 82.81 1.39 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.92 29.19 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -125.86 154.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 -32.39 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mtt85 -83.97 29.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.3 mm-40 -118.63 140.84 49.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.06 -179.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.9 mt -109.87 -39.27 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.48 -46.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.6 p90 -88.77 132.2 34.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 t -99.99 122.1 42.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -103.36 137.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -132.27 113.42 13.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.44 33.17 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.82 17.49 72.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.53 118.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 45' ' ' ILE . 14.8 mt -62.61 139.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 1.8 t -118.97 -59.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -112.83 157.09 21.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tt -134.82 132.58 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 120.69 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -66.95 127.45 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.22 47.51 44.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.3 -146.0 6.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' ALA . 17.0 mt -92.62 -52.68 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' ILE . . . -35.91 -60.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -50.6 -42.17 55.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ILE . 84.3 mtt180 -64.55 -50.92 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.94 73.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 11' ' ' ALA . . . 137.08 30.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 31' ' ' ILE . 29.9 mm -87.85 132.15 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.12 123.24 22.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 20.6 m -53.23 154.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.97 -32.53 6.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.1 142.63 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -98.33 151.39 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.04 132.47 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 pt -123.4 -15.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -161.37 147.59 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 54' ' ' ILE . 2.0 pp -147.39 140.61 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 43.05 30.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.82 39.48 24.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -64.5 115.37 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.16 14.4 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.31 -36.59 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.12 18.87 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 75.9 m -97.19 138.42 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.82 133.98 26.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.447 ' NE2' ' CG1' ' A' ' 68' ' ' ILE . 6.7 t60 -36.22 -54.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.63 -58.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.07 -50.97 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.9 mt -42.53 -41.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG1' ' NE2' ' A' ' 64' ' ' HIS . 25.1 mm -64.69 -46.63 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.29 -35.56 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.02 -67.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -42.73 -44.44 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -59.83 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.71 -29.51 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 113.32 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.95 168.18 10.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.86 -111.41 4.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -82.66 96.46 8.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.47 124.54 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -101.67 107.77 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.3 mt -109.04 114.01 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -89.08 108.17 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -98.95 149.97 22.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 12.2 ttt -155.88 139.56 11.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.77 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.76 -41.45 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.442 HG22 ' CD1' ' A' ' 91' ' ' LEU . 4.1 m -54.52 -58.83 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -42.67 -61.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -55.55 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.44 -37.8 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 9.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.92 0.39 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.7 m -92.62 119.22 31.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 11' ' ' ALA . 40.7 m -102.61 146.56 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 10' ' ' THR . . . -142.11 147.89 37.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -123.98 136.18 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 45' ' ' ILE . 10.7 mm -116.86 147.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.1 101.83 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 9.3 mtp-105 -117.5 81.79 14.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -21.64 33.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -121.81 145.03 48.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 -36.46 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -83.97 29.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 54.7 mm-40 -119.48 131.84 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -45.54 171.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt -103.58 -47.36 4.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.44 -43.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' HD23 ' A' ' 22' ' ' LEU . 28.9 p90 -97.62 141.68 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.81 124.26 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -109.23 127.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.13 114.95 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.6 25.68 15.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.89 21.27 47.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.434 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 54.6 mt -139.49 115.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 mt -60.99 142.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 50.4 t -124.4 -48.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 t -122.71 155.59 36.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -134.7 136.02 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.61 116.45 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -72.18 106.52 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.83 43.01 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.63 -146.4 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.7 mt -88.92 -48.63 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.0 -63.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -41.45 -50.36 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -65.84 -35.05 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.66 -46.53 83.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.53 27.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CG1' HD11 ' A' ' 13' ' ' ILE . 49.8 mm -81.14 142.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' N ' HG23 ' A' ' 45' ' ' ILE . 13.2 mmm-85 -133.99 117.06 16.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 m -61.95 150.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.55 -11.83 59.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -93.67 165.07 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.38 134.8 53.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.47 107.63 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.69 -26.08 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -149.45 156.58 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.411 HD11 ' C ' ' A' ' 54' ' ' ILE . 1.8 pp -148.74 136.57 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ILE . 73.1 m-20 36.96 37.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.54 48.21 14.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -150.28 118.46 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -65.7 115.47 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.67 -0.27 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -23.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.21 -30.39 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 78.0 m -54.32 138.01 58.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.8 146.09 58.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ALA . 4.5 t60 -46.16 -55.66 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.16 -63.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' CZ ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.13 -52.03 67.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.0 mt -42.3 -39.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.8 mm -64.71 -38.15 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.3 mm-40 -67.72 -39.52 84.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' HG ' ' CZ ' ' A' ' 66' ' ' ARG . 36.2 mt -66.12 -68.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -40.93 -52.73 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.0 m -61.32 -44.08 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 mm-40 -57.31 -31.75 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.15 121.35 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.46 171.8 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -115.72 4.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 9.9 tt0 -72.34 110.32 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.3 t -113.26 100.37 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.403 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 11.4 m170 -77.95 138.65 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -140.39 120.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -94.08 107.34 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 132.36 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.473 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.8 ttt -142.52 139.57 17.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.4 Cg_endo -69.78 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.4 -34.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -58.11 -66.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.1 m -53.21 -60.85 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -42.9 -58.42 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -51.61 -50.18 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.58 -36.25 73.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -81.02 103.75 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -92.69 130.05 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.81 146.35 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -118.55 134.79 61.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.87 135.51 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -97.07 102.23 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -111.45 81.4 3.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.86 27.07 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -122.54 148.3 45.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.8 -36.76 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -83.91 29.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 36.3 mm-40 -116.93 128.27 55.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -48.89 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 17.7 mt -104.76 -60.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.54 -42.52 1.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 22' ' ' LEU . 50.2 p90 -91.23 132.8 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -97.45 121.08 38.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -103.17 139.9 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -135.93 122.31 20.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.87 25.67 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.33 18.75 56.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 70.2 mt -138.27 121.51 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.45 136.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.6 -58.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -110.73 155.27 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -135.63 129.7 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.81 137.84 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -80.26 137.93 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.21 44.27 96.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.54 -164.31 13.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.06 -39.86 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.83 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -42.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -69.87 -35.95 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -70.85 -41.54 62.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.55 35.16 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mm -92.65 137.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -134.04 115.11 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.7 m -54.96 151.31 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.51 -20.39 49.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -84.16 133.47 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' MET . 11.8 tpt180 -85.91 130.53 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.27 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 88' ' ' TYR . 44.7 pt -123.2 -12.87 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.06 148.08 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 pp -146.48 132.86 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m120 49.49 28.45 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.77 39.97 16.0 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -142.7 126.49 17.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -67.33 115.07 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -106.77 -5.45 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.35 -29.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 24.83 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.055 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 84.7 m -117.99 139.19 26.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 148.82 65.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.47 ' NE2' ' CD1' ' A' ' 68' ' ' ILE . 32.4 t60 -45.66 -54.75 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -56.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 6.9 tpt180 -64.94 -49.17 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.3 mt -45.05 -43.69 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.47 ' CD1' ' NE2' ' A' ' 64' ' ' HIS . 37.5 mm -65.73 -45.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.89 -41.97 92.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.1 mt -65.49 -66.22 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -43.02 -48.56 6.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.2 m -61.84 -45.69 92.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.4 mt-10 -55.52 -31.47 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.82 123.02 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 54.9 m-85 -120.56 165.95 14.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.65 -106.33 1.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -95.37 100.39 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.65 117.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -90.27 102.98 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.51 111.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -86.28 106.69 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 p -98.16 150.9 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' ARG . 1.1 tpt -156.01 137.03 9.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.52 4.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.7 -33.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -65.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 m -57.45 -57.52 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.548 ' CE2' HG21 ' A' ' 52' ' ' ILE . 3.1 t80 -45.84 -56.13 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.97 -45.59 74.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.11 -32.25 73.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.933 0.397 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.1 m -86.21 124.83 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -110.8 142.53 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.57 155.42 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mm -127.7 116.17 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 17.5 mm -100.6 132.21 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.55 100.14 11.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -107.37 83.93 1.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.44 24.15 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -124.6 139.88 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.94 -30.98 31.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 14.6 mtp180 -83.75 29.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 5.6 mm-40 -120.19 137.46 54.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -56.75 173.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.7 mt -105.28 -57.64 2.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.01 -38.74 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.49 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.5 p90 -93.28 122.64 35.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -86.76 133.59 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.71 144.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.38 122.18 12.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 56.66 27.03 11.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.15 22.64 54.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 74.7 mt -139.17 121.17 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 47' ' ' VAL . 31.8 mt -67.87 143.38 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.0 t -117.37 -60.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -116.71 161.98 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 4.0 tt -135.42 131.92 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.92 100.05 1.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -60.01 123.27 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.67 29.7 10.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.31 -140.08 5.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' ALA . 8.8 mt -95.65 -50.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -35.84 -59.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.04 -44.65 67.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -59.61 -54.49 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.44 96.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.46 31.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.97 130.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -123.11 112.89 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 28.9 m -55.48 151.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.86 -26.87 12.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -74.92 131.25 40.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' MET . 4.6 tpp85 -84.29 133.19 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 HG21 ' CG2' ' A' ' 59' ' ' VAL . 12.2 mm -75.62 142.93 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.51 HG21 ' CE2' ' A' ' 88' ' ' TYR . 35.2 pt -126.13 -28.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -153.98 131.24 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.5 pp -123.85 144.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ILE . 67.8 m-80 37.37 29.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.86 42.54 12.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ILE . 21.1 mm-40 -145.66 130.13 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.8 p -64.66 123.21 18.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 51' ' ' ILE . 30.0 m -121.38 -12.64 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -44.9 -24.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.05 -34.94 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 84.9 m -48.11 139.18 10.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.78 134.45 27.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CE1' HD13 ' A' ' 68' ' ' ILE . 11.3 t60 -36.11 -53.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.51 -51.58 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -69.71 -46.88 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.16 -42.37 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 64' ' ' HIS . 11.2 mm -67.27 -40.42 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.19 -44.33 92.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.24 -67.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -41.74 -44.92 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.6 m -65.25 -50.59 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 5.3 mm-40 -56.57 -34.87 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.33 126.51 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.9 m-85 -114.51 172.2 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.4 -121.48 14.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.425 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 131.9 43.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.44 103.98 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -82.75 103.55 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.7 mt -109.26 110.47 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -86.8 106.07 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -97.54 135.94 38.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ARG . 9.1 ttt -139.8 140.13 23.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.2 Cg_endo -69.71 114.69 3.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.07 -42.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.07 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 48.1 m -53.89 -64.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.51 ' CE2' HG21 ' A' ' 52' ' ' ILE . 4.1 t80 -37.57 -61.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -50.72 -47.67 59.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.66 -39.43 77.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 7.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 m -82.39 123.87 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.1 m -116.52 128.8 55.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.39 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt -119.74 140.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -118.44 150.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -103.62 101.27 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' NH1' HD22 ' A' ' 22' ' ' LEU . 37.2 mtt-85 -115.04 83.38 9.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -19.64 35.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -127.66 137.49 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.62 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 43.2 mtp85 -84.0 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 4.5 mm-40 -117.87 146.92 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -52.99 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 HD22 ' NH1' ' A' ' 15' ' ' ARG . 15.0 mt -117.32 -51.25 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.11 -43.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -93.05 123.03 36.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -84.66 120.78 26.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.51 128.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -119.5 112.26 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.25 29.36 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.97 58.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -134.03 113.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.74 130.27 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 39.2 t -109.74 -51.23 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -120.42 161.1 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.18 135.75 37.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.99 116.16 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -74.01 110.32 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.21 36.83 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.22 -149.3 8.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.3 mt -89.64 -46.7 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -49.59 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.38 -45.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -72.42 -36.17 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -64.37 -48.03 78.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.78 32.99 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -94.02 132.73 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -130.38 124.78 32.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.8 162.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.87 -34.48 4.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -78.97 134.13 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -89.54 143.35 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -82.37 131.86 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 pt -122.49 -12.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.23 135.53 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.1 pp -137.75 145.99 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 74' ' ' ALA . 12.9 m120 38.25 34.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.73 42.52 53.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . 8.7 mt-30 -143.68 121.38 11.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -63.7 113.14 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.49 10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.65 -25.74 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 -37.86 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 96.7 m -37.8 139.06 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.69 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.511 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.3 t60 -40.34 -57.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.73 -56.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -62.69 -47.03 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.31 -44.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mm -62.22 -42.72 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.29 -38.15 85.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.91 -66.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -42.62 -41.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.9 m -64.95 -48.68 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 51.8 mm-40 -57.02 -34.55 68.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -62.7 114.54 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.39 164.04 12.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.55 -110.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.03 124.24 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.76 104.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.1 109.45 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -112.38 114.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -89.55 106.31 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -96.13 146.13 24.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.3 tpt -146.56 136.27 11.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 122.04 8.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 89' ' ' ARG . . . -45.35 -39.07 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.6 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.8 m -52.09 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -44.01 -57.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 15.2 mmm180 -48.51 -47.04 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 83' ' ' MET . 51.9 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -81.12 118.2 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 m -104.88 125.41 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.07 149.08 48.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.07 134.67 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 4.9 mm -114.56 152.08 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -110.71 105.05 13.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 12.5 mtp-105 -116.5 87.57 21.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.19 12.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.222 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.5 t-80 -115.7 149.55 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.78 18.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 98.0 mtt180 -83.94 29.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 9.5 mm-40 -122.16 126.25 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -45.39 169.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 24' ' ' PHE . 5.6 mt -99.9 -46.86 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.97 -44.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.0 p90 -90.63 133.05 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -95.71 119.0 33.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.61 136.39 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -129.58 110.8 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.33 29.3 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.03 23.43 49.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.09 116.23 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 32' ' ' CYS . 11.8 mt -68.74 142.93 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 31' ' ' ILE . 46.2 t -126.91 -47.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -118.11 161.96 18.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tt -142.52 131.76 23.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.34 109.18 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -68.18 105.16 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.44 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.76 -148.56 7.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -88.91 -42.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -49.07 -68.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' ALA . 30.7 tt0 -36.66 -49.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -66.79 -37.9 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.82 -47.82 82.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.8 27.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.422 ' CG1' HD13 ' A' ' 13' ' ' ILE . 37.4 mm -81.12 142.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 45' ' ' ILE . 17.4 mmt180 -136.42 113.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -54.5 160.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.57 -12.31 56.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.49 133.19 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -85.14 142.43 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.424 ' CD1' HG21 ' A' ' 82' ' ' THR . 49.5 mm -86.91 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 pt -123.57 -15.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' C ' HG22 ' A' ' 54' ' ' ILE . 29.4 tt0 -155.04 144.24 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 54' ' ' ILE . 2.3 pp -145.1 142.14 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' ILE . 69.4 m-80 36.75 38.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.74 49.87 27.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -149.13 124.5 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -67.87 102.79 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.37 11.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' A' ' 88' ' ' TYR . 12.4 p -52.67 -26.65 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.79 -33.83 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 97.1 m -44.71 138.76 3.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.78 138.63 38.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 39.6 t60 -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -37.71 -53.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.19 -42.11 84.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.43 -41.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.92 -44.92 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.21 -41.5 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.34 -66.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mt -43.9 -53.07 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.3 m -59.62 -45.72 91.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 6.7 mm-40 -64.72 -17.97 64.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.59 113.61 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.14 167.86 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.51 -118.63 14.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 32.8 tt0 -78.54 119.9 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.7 99.97 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.439 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 51.9 m-70 -80.08 104.33 10.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.1 mt -108.18 122.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 53' ' ' GLU . 17.7 tttt -98.52 106.11 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 51' ' ' ILE . 58.2 p -97.37 153.17 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.6 ttt -153.26 140.0 12.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.78 121.04 7.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.25 -40.05 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.93 -65.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.8 m -51.0 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' CE2' HG21 ' A' ' 60' ' ' VAL . 2.0 t80 -38.31 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -52.05 -42.05 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.35 -31.48 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -85.04 128.96 34.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -112.01 131.26 55.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.75 126.34 36.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mt -105.63 134.64 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 22' ' ' LEU . 34.4 mm -111.62 154.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.81 100.12 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -111.05 80.42 2.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.91 33.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -151.4 144.77 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.47 -59.79 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 22.7 mmm180 -34.4 -32.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 8.5 mm-40 -80.86 131.88 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -67.02 -174.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 13' ' ' ILE . 4.9 mt -104.55 -42.34 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.87 -41.22 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CE1' HD11 ' A' ' 22' ' ' LEU . 38.8 p90 -87.41 134.29 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.76 127.59 48.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.32 128.88 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -125.61 102.99 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.493 ' H ' ' CE1' ' A' ' 64' ' ' HIS . 3.2 t70 74.14 36.75 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.36 18.08 79.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -139.79 119.92 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 32' ' ' CYS . 17.8 mt -61.68 138.86 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 31' ' ' ILE . 14.1 t -115.39 -64.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -111.69 157.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -129.14 132.49 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.78 132.02 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 17.8 ttp-105 -78.18 149.33 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.87 39.24 47.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.17 8.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.89 -43.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.54 -65.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.32 -50.76 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -61.54 -39.34 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.6 -48.06 71.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.73 8.45 3.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CG1' HD12 ' A' ' 13' ' ' ILE . 18.4 mm -56.73 132.57 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -125.46 116.36 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.8 168.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.01 -38.08 2.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -73.04 137.18 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -90.4 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.6 mm -80.77 133.83 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.7 pt -117.14 -26.04 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -145.16 157.11 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.9 pp -153.18 128.32 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 m120 43.04 34.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.91 41.37 23.16 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.53 134.69 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -71.75 114.48 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.51 -12.26 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.61 -23.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.85 -29.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 93.4 m -49.15 139.07 13.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 133.44 25.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CE1' ' H ' ' A' ' 28' ' ' ASP . 23.6 t60 -34.73 -49.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.14 -69.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -49.01 -51.54 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -41.27 -39.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.32 -45.93 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.83 -38.86 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.44 -70.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 mt -39.1 -47.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -62.74 -49.57 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.574 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 44.2 mt-10 -57.57 -36.27 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 113.92 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 8.6 m-85 -109.36 161.25 15.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.98 -122.65 10.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.06 104.26 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.34 99.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.91 105.64 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.1 mt -105.6 116.99 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -89.61 109.06 20.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.7 p -99.03 148.67 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 12.0 ttt -156.64 139.82 11.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.83 -41.27 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.86 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -47.73 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -41.58 -61.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -46.8 -55.46 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.73 -36.75 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.456 HG22 ' CE ' ' A' ' 83' ' ' MET . 96.6 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 m -83.55 117.94 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 m -103.21 134.74 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.47 148.56 51.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.91 126.42 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 20.8 mm -105.65 157.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -125.31 106.35 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.69 92.49 33.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.93 37.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.402 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -136.83 147.12 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.3 -32.05 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 27.6 mtt-85 -83.99 29.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 40.1 mm-40 -124.04 136.68 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -50.0 171.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 12.5 mt -107.63 -46.7 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.29 -46.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 40.4 p90 -87.41 134.66 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.4 m -102.07 122.69 44.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 27' ' ' GLU . 93.3 t -108.23 135.23 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 26' ' ' VAL . 6.7 mm-40 -126.9 116.71 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.54 25.38 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.87 20.65 42.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.6 mt -138.91 114.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.9 mt -61.68 138.99 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -121.64 -46.57 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -122.69 156.66 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 1.3 tt -137.98 127.83 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 94.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 -13.72 27.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.57 -142.98 3.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.2 mt -89.46 -40.46 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 111.091 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -52.12 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 5.6 tm-20 -46.88 -43.03 18.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.38 -22.22 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.64 -46.88 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.03 19.98 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mm -74.79 143.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -129.4 130.48 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.45 162.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.92 -16.84 13.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -87.28 144.88 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -100.93 141.66 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.83 133.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.7 pt -121.25 -13.32 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -159.37 150.19 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.9 pp -149.0 133.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 42.77 33.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.38 32.79 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ILE . 34.1 mt-30 -133.96 121.76 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -60.81 116.79 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -108.51 -5.43 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 p -51.69 -22.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.87 -28.97 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 85.5 m -47.88 139.15 9.47 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.541 0.686 . . . . 0.0 111.204 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 140.46 42.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' PRO . 23.7 t60 -35.92 -53.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.3 -66.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -48.09 -57.18 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -40.04 -37.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -75.7 -53.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.85 -57.66 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.3 mt -47.05 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -44.78 -66.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -44.76 -46.67 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 44.5 mt-10 -58.24 -33.22 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.15 117.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.495 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -103.23 171.01 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.74 -121.89 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.33 129.67 38.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 15' ' ' ARG . 54.2 t -133.43 105.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.41 114.49 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.1 mt -116.54 110.56 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -85.2 106.82 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 p -96.49 145.7 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.47 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 9.6 ttt -153.44 140.07 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.22 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.53 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' LEU . 8.8 m -53.61 -68.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 5.1 t80 -37.82 -53.5 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -57.56 -40.28 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' THR . 15.0 mt -68.46 -26.94 65.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 88' ' ' TYR . 9.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -79.63 115.39 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -108.34 141.49 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.73 143.46 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 79' ' ' HIS . 14.4 mm -116.8 128.55 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 18.1 mm -104.83 153.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -113.92 102.49 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' CD ' HD21 ' A' ' 22' ' ' LEU . 9.6 mtm180 -110.0 81.18 2.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.71 29.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -156.01 142.63 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.75 -57.42 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 27.8 mmt180 -34.75 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.7 mm-40 -80.91 142.71 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -71.87 -174.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 HD21 ' CD ' ' A' ' 15' ' ' ARG . 6.4 mt -107.56 -46.44 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.55 -46.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -85.91 144.73 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -113.8 125.34 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.61 136.04 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.53 113.71 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.62 28.33 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.71 17.7 57.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -140.06 119.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 32' ' ' CYS . 24.2 mt -59.27 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.436 ' N ' HG21 ' A' ' 31' ' ' ILE . 1.9 t -113.05 -62.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t -116.54 155.61 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 2.8 tt -128.42 131.97 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.08 112.16 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -66.98 123.46 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.08 9.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.71 -150.42 8.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -89.66 -38.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -50.83 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -46.97 -39.4 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -68.0 -43.57 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.88 95.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.02 28.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.39 138.89 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -136.61 127.95 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 m -59.58 170.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -31.81 3.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -79.2 142.27 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -96.32 154.1 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -90.83 135.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.33 -20.2 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' C ' HG21 ' A' ' 54' ' ' ILE . 16.2 tt0 -155.94 153.35 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.9 pp -150.0 135.09 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' ILE . 58.5 m-80 37.15 33.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 80.24 38.56 18.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' ILE . 12.4 mm-40 -140.74 122.78 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -71.82 114.86 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.25 6.88 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.6 -20.73 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.12 -21.42 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 85.7 m -68.59 139.19 91.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.5 Cg_endo -69.77 139.65 40.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.436 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 73.0 t60 -42.7 -52.35 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -54.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -43.14 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 64' ' ' HIS . 87.4 mt -47.18 -35.67 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.79 -39.47 81.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.9 mt -69.04 -67.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.26 -46.68 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -68.46 -35.59 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 mm-40 -66.23 -18.3 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.63 116.59 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.47 167.78 9.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.66 -119.24 16.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.44 118.38 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.49 111.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 12' ' ' ILE . 13.5 m-70 -89.91 101.86 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mt -103.89 126.36 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.82 106.07 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -98.76 150.33 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.468 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 7.9 ttt -159.19 139.76 9.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.74 115.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.85 -38.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' TYR . 85.6 m -52.1 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' THR . 2.6 t80 -37.91 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -48.52 -44.99 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.75 -28.15 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -97.0 139.61 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -124.14 146.53 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.36 140.26 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mm -113.16 145.15 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.97 153.79 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -108.37 100.5 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.0 mtp-105 -115.5 86.71 15.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.85 32.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.404 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.462 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -127.9 139.07 52.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.04 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mtp180 -84.01 29.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 23.8 mm-40 -120.72 135.48 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -47.77 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 24' ' ' PHE . 8.2 mt -107.13 -47.16 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.43 -45.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 22' ' ' LEU . 44.9 p90 -89.73 122.72 33.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -82.08 121.42 26.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 27' ' ' GLU . 87.5 t -111.03 135.21 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 mm-40 -125.82 120.43 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.78 27.07 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.04 46.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.27 116.27 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 mt -62.89 140.39 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -124.01 -46.29 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -125.31 161.09 27.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 35' ' ' LEU . 3.0 tt -135.08 136.56 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 34' ' ' LEU . 7.7 tp -69.93 112.8 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -55.18 136.86 48.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.94 52.85 36.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.05 -153.77 9.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.9 mt -85.31 -47.19 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -50.63 -62.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.76 -42.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -74.03 -36.09 64.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -67.67 -45.8 73.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.78 28.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 46' ' ' ARG . 18.7 mm -80.43 134.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 45' ' ' ILE . 10.2 mmm180 -128.8 116.22 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -57.38 155.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.8 -35.93 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -77.68 140.58 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 7.6 ttm180 -90.44 145.61 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 48.6 mm -86.73 120.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.9 pt -107.45 -24.73 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' C ' HG23 ' A' ' 54' ' ' ILE . 8.0 tt0 -147.4 148.71 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG23 ' C ' ' A' ' 53' ' ' GLU . 2.1 pp -147.0 136.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 42.45 40.92 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.05 43.01 74.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -140.95 124.45 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -71.0 110.3 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.77 36.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' A' ' 88' ' ' TYR . 3.9 p -67.81 -22.04 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' THR . . . -116.9 -40.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 93.7 m -34.21 137.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.74 140.49 42.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.534 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 1.8 t60 -39.45 -54.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -37.94 -53.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.45 -47.51 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.95 -41.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CG1' ' CD2' ' A' ' 64' ' ' HIS . 5.2 mm -62.69 -51.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.7 -33.7 48.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -69.46 -60.87 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.08 -47.18 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -55.6 -41.2 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.51 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 7.8 mt-10 -62.39 -24.56 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.04 134.86 39.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 4.1 m-85 -120.02 168.95 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' ARG . . . 42.95 -107.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -72.82 106.84 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.02 102.3 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.66 142.55 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.3 mt -147.0 112.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.57 109.34 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 p -95.08 143.39 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.43 137.12 10.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.82 -44.0 38.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.17 -66.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.2 m -45.88 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.522 ' CE2' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -41.14 -61.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -48.68 -41.96 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.82 -21.36 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 88' ' ' TYR . 17.2 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.94 0.4 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -81.11 114.73 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 11' ' ' ALA . 42.7 m -107.53 142.85 36.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.169 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' N ' HG21 ' A' ' 10' ' ' THR . . . -143.1 148.48 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -123.14 130.77 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 3.8 mm -111.24 159.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -126.34 101.23 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' NE ' ' CG2' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -111.92 88.94 10.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.77 31.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.282 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -123.41 142.8 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.16 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 80.0 mtt180 -83.87 29.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 17.0 mm-40 -120.89 137.93 54.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -50.34 167.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.21 -38.38 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.22 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -85.79 133.84 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -98.29 119.29 36.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.95 135.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -130.43 123.69 30.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.09 25.41 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.71 19.11 53.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.66 120.39 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.414 HD11 ' CG2' ' A' ' 45' ' ' ILE . 13.1 mt -66.35 139.31 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.08 -47.22 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -123.87 160.08 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tt -138.55 132.33 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.66 126.69 29.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -80.43 116.92 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.99 45.15 5.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.49 -141.13 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.08 -46.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -46.76 -64.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.26 -48.75 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.93 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.73 -44.71 97.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.436 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.83 27.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' CG2' HD11 ' A' ' 31' ' ' ILE . 45.7 mm -83.03 136.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.23 113.6 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 m -56.21 149.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.81 -19.58 51.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -95.02 136.94 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 10.2 ttt180 -89.1 144.63 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 7.3 mm -82.44 133.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.3 pt -118.88 -14.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.08 152.58 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -146.73 140.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ILE . 66.1 m-80 35.66 31.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.75 41.99 14.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.2 mm100 -142.57 125.02 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 t -61.4 123.02 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.37 -6.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.04 -31.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.06 25.75 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 81.7 m -110.77 139.31 21.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.569 0.699 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.6 Cg_endo -69.82 143.67 51.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.229 . . . . 0.0 112.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.649 ' CD2' ' CG1' ' A' ' 68' ' ' ILE . 10.1 t60 -42.96 -52.41 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -59.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.63 -50.23 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -49.17 -50.5 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.649 ' CG1' ' CD2' ' A' ' 64' ' ' HIS . 47.6 mm -57.29 -44.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -46.24 90.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -59.22 -68.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.83 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -56.41 -37.21 69.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.84 -15.74 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.68 116.72 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -107.05 163.94 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.44 -122.98 24.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.34 123.49 23.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.573 ' CG2' ' NE ' ' A' ' 15' ' ' ARG . 55.8 t -130.59 109.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -86.06 118.36 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.45 112.01 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 81' ' ' LYS . 2.6 ttmp? -88.63 106.57 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 p -95.37 153.08 17.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -151.22 137.13 11.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.77 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.44 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -49.59 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -39.69 -56.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -54.64 -47.6 73.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.71 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.881 0.372 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -84.12 140.16 31.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -125.64 128.47 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 149.8 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -121.31 130.42 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 14' ' ' HIS . 26.4 mm -109.24 148.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.5 m80 -108.72 100.9 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -114.67 88.84 17.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.05 21.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 3.6 t-80 -120.46 150.2 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.96 -33.39 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -83.9 29.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 10.3 mm-40 -121.14 132.72 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.32 168.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.6 -45.31 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.76 -49.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -88.23 120.02 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -83.36 118.6 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.4 t -107.86 145.69 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -142.99 118.27 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.32 26.63 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.86 21.79 51.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 70.2 mt -140.95 121.01 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.8 140.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.75 -42.86 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -132.09 156.7 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.75 135.92 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.54 110.44 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -66.63 113.41 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.9 42.54 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 -142.91 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.63 -42.32 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -50.69 -58.94 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -43.24 -39.62 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -77.65 -28.02 51.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.02 -38.31 40.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.55 23.64 1.49 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 46' ' ' ARG . 36.5 mm -79.95 136.66 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 45' ' ' ILE . 11.7 mmt85 -135.1 125.28 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.65 151.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.57 -25.55 20.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -77.11 150.52 35.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.27 135.5 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 ' CD1' HG23 ' A' ' 82' ' ' THR . 9.3 mm -84.74 119.28 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -105.74 -25.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.41 ' C ' HG23 ' A' ' 54' ' ' ILE . 14.6 tt0 -146.53 149.1 32.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 55' ' ' ASN . 2.0 pp -146.99 146.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.563 ' ND2' ' CB ' ' A' ' 74' ' ' ALA . 27.0 m120 34.55 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.45 48.48 77.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -150.38 119.41 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -65.31 122.05 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.04 10.42 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.4 -21.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.22 -29.34 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 90.7 m -53.55 138.05 51.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.688 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.72 152.82 69.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' NE2' ' CD1' ' A' ' 68' ' ' ILE . 11.3 t60 -53.41 -53.66 48.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.17 -42.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -79.35 -40.59 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -55.81 -32.48 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.439 ' CD1' ' NE2' ' A' ' 64' ' ' HIS . 47.4 mm -68.63 -34.86 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -72.65 -31.03 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.98 -61.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -49.23 -52.96 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.6 m -59.1 -37.38 77.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 42.9 mt-10 -64.05 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -88.14 117.91 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -104.24 171.14 7.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.67 -108.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -79.68 133.34 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -131.45 106.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -83.62 106.14 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.29 123.84 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -96.32 108.37 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.417 HG23 ' CD1' ' A' ' 51' ' ' ILE . 50.7 p -96.45 141.95 29.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.53 136.15 11.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.61 -41.28 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.06 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' TYR . 27.2 m -54.46 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' THR . 2.9 t80 -36.74 -60.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -52.19 -46.52 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.87 -22.95 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.914 0.388 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -111.41 114.76 28.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 m -96.25 139.11 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mm -117.89 131.08 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.19 125.63 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -83.34 101.86 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 20' ' ' GLU . 12.6 mtp180 -109.73 79.83 1.51 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -158.7 153.6 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -86.5 -59.21 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -34.76 -32.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 26.6 mm-40 -79.4 142.18 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.27 -174.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 6.9 mt -103.86 -41.7 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 -42.16 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 51.2 p90 -87.19 140.92 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.3 t -107.39 127.04 53.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 27' ' ' GLU . 95.8 t -106.37 136.99 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' VAL . 30.8 mt-10 -126.25 114.3 18.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.73 27.81 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.42 41.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -141.12 115.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mt -59.57 140.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.435 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 4.8 t -121.06 -62.05 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -111.78 156.31 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tt -132.79 133.15 43.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.3 118.94 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -74.33 120.01 19.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 36.36 8.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.48 -140.02 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mt -99.17 -51.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -40.19 -65.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -41.57 -34.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -82.13 -32.84 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -71.65 -44.21 49.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.95 26.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.0 mm -85.72 132.16 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -133.02 117.24 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 21.2 m -47.77 170.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -37.62 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.81 152.42 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 23.3 ttt180 -108.89 148.44 30.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 35.5 mm -88.12 131.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG22 ' CE2' ' A' ' 88' ' ' TYR . 40.1 pt -121.05 -17.32 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.27 154.36 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.4 pp -152.66 124.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.5 m120 51.96 26.93 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 18.66 58.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -119.03 121.63 40.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -63.89 114.22 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.49 -15.81 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.29 -33.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.73 -32.26 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 98.9 m -48.6 138.87 11.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.0 Cg_endo -69.8 142.49 47.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' ALA . 38.3 t60 -38.38 -57.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.99 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -55.41 -55.6 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -37.62 -33.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mm -79.19 -53.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -57.2 -50.29 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.37 -66.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -45.32 -53.29 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.5 m -56.58 -45.43 81.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 37.5 mt-10 -60.81 -29.7 69.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.0 119.56 16.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 10.3 m-85 -111.92 171.42 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.45 -122.95 31.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -75.47 110.19 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.57 112.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.96 116.64 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.13 111.41 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -84.9 110.68 19.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -99.8 148.98 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.465 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.0 ttt -159.11 140.54 9.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 122.68 9.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.99 -46.17 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.78 -67.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' TYR . 35.0 m -50.73 -71.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' CE2' HG22 ' A' ' 52' ' ' ILE . 1.5 t80 -37.66 -64.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -44.98 -44.5 9.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.08 -31.48 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -79.71 117.43 20.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 11' ' ' ALA . 42.1 m -96.92 144.0 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.451 ' N ' HG21 ' A' ' 10' ' ' THR . . . -146.49 128.87 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 79' ' ' HIS . 22.6 mt -98.0 141.11 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD11 ' CG1' ' A' ' 45' ' ' ILE . 46.7 mm -116.67 135.67 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -100.76 104.45 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' CZ ' HD12 ' A' ' 22' ' ' LEU . 30.2 mtp180 -107.73 80.04 0.92 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.25 9.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.29 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 7.5 t-80 -161.48 142.63 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' ARG . . . -93.27 -52.48 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 24.6 mmm-85 -34.35 -38.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ALA . 2.5 pp20? -91.14 139.81 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.3 -174.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 mt -103.27 -43.58 5.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.78 -29.53 5.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 55.0 p90 -92.8 123.74 36.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.15 123.87 34.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.17 138.94 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -131.14 119.47 21.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 52.62 26.77 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.72 18.46 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -136.0 116.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 45' ' ' ILE . 27.1 mt -62.92 137.75 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' N ' HG21 ' A' ' 31' ' ' ILE . 2.0 t -115.14 -54.18 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -122.64 157.99 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -132.97 136.89 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.46 142.6 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -83.0 127.44 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.78 47.67 73.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 -146.56 7.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.5 mt -95.1 -54.75 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ILE . . . -34.77 -57.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.32 -44.18 79.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 62.8 mtp85 -58.58 -51.76 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.23 -44.24 97.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.25 31.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 31' ' ' ILE . 33.3 mm -81.52 138.35 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -135.85 113.54 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.87 153.8 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.61 -35.24 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -73.34 152.83 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -107.24 136.73 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 52' ' ' ILE . 26.6 mm -79.14 137.34 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' HG21 ' A' ' 51' ' ' ILE . 44.2 pt -123.53 -20.32 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -151.74 153.03 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 HD11 ' C ' ' A' ' 54' ' ' ILE . 1.6 pp -153.11 137.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.2 m120 46.53 29.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.79 39.4 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -141.45 128.98 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.7 p -69.21 119.81 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 m -130.46 25.06 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.63 -33.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.25 -37.1 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 86.1 m -40.87 138.33 1.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.3 Cg_endo -69.81 145.39 56.74 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.521 ' CE1' ' CD1' ' A' ' 68' ' ' ILE . 39.0 t60 -44.66 -53.64 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.6 -54.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -66.52 -44.33 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 64' ' ' HIS . 21.0 mt -50.61 -43.35 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.521 ' CD1' ' CE1' ' A' ' 64' ' ' HIS . 29.5 mm -62.75 -49.54 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.93 -34.7 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.09 -67.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' O ' ' NH1' ' A' ' 15' ' ' ARG . 23.0 mt -41.46 -43.35 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.4 m -66.53 -46.64 75.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.78 -14.73 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.98 120.57 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.77 162.95 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.47 -121.13 9.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.48 114.74 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -123.7 104.77 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.507 ' CD2' HG12 ' A' ' 12' ' ' ILE . 6.3 m170 -76.22 101.55 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.6 mt -103.91 120.79 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -96.4 109.13 21.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 51' ' ' ILE . 17.9 p -96.29 145.39 25.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.4 ttt -155.26 136.02 8.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.41 -46.21 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 m -44.54 -58.37 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -46.83 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -45.43 -37.76 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.36 -31.73 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -77.36 106.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 m -98.16 121.98 40.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.74 137.14 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.55 136.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 39' ' ' ILE . 20.9 mm -115.13 146.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -109.12 100.23 9.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -113.92 91.09 20.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -35.1 13.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 3.8 t-80 -118.3 149.98 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.83 -31.42 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 73.1 mtt180 -83.93 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.06 135.94 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -50.81 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.46 -57.62 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.85 -40.28 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.3 140.98 31.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.44 124.82 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.55 129.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -127.25 110.17 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.99 32.79 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.86 17.54 74.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 96.2 mt -137.71 113.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 32' ' ' CYS . 10.9 mt -61.64 143.79 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' N ' HG23 ' A' ' 31' ' ' ILE . 7.8 t -121.97 -46.52 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -119.47 156.72 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.85 129.81 21.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.83 102.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -63.42 119.84 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.16 43.78 5.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.99 -142.51 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.453 ' CG2' HG23 ' A' ' 13' ' ' ILE . 27.4 mt -88.64 -51.65 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -47.68 -67.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.03 -41.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -69.03 -36.23 77.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -68.78 -48.27 50.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.19 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 46' ' ' ARG . 26.1 mm -88.48 135.39 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.42 ' N ' HG21 ' A' ' 45' ' ' ILE . 13.1 mmt180 -126.42 119.73 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.19 145.47 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.46 -28.6 14.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.39 135.21 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HD3' ' CG1' ' A' ' 30' ' ' ILE . 5.6 tpp85 -89.16 134.62 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.53 141.94 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.0 pt -123.9 -24.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -154.86 139.04 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 54' ' ' ILE . 2.1 pp -133.33 133.04 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 45.61 33.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.33 42.91 33.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -145.39 118.49 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 124.48 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ALA . 34.9 m -118.77 -12.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -42.7 -24.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -116.77 -41.71 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 m -40.16 139.2 1.05 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.72 139.84 41.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -38.71 -51.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.11 -67.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.7 tpp85 -50.28 -54.0 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.2 mt -42.94 -42.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.52 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -41.86 71.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -61.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.47 -51.53 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.53 -48.38 81.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.6 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.4 mm-40 -57.05 -32.36 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.76 117.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.48 172.83 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.17 -117.33 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.53 119.05 16.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.86 97.91 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -80.81 115.43 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.07 113.94 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -86.99 105.94 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 p -97.22 146.13 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.472 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 13.4 ttt -151.9 139.25 12.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.691 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.73 114.84 3.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.18 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.8 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -50.88 -59.48 4.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.42 -59.54 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -49.67 -49.41 47.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.56 -40.0 77.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.5 m -99.66 132.33 45.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 11' ' ' ALA . 38.5 m -116.36 139.1 50.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' N ' HG21 ' A' ' 10' ' ' THR . . . -127.49 146.1 50.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.8 128.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 4.1 mm -112.11 159.68 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -116.38 102.58 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' CD ' HG23 ' A' ' 78' ' ' VAL . 6.0 mtp-105 -112.84 86.48 8.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.28 22.79 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -121.59 147.42 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.57 -34.86 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -83.32 26.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 61.9 mm-40 -121.78 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -60.61 173.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.85 -54.97 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.62 -37.69 2.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -92.21 132.73 36.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.6 t -97.95 130.73 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -107.51 138.64 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -136.64 105.25 5.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t0 71.85 27.33 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.71 68.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.75 123.59 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 32' ' ' CYS . 13.0 mt -66.01 141.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' N ' HG21 ' A' ' 31' ' ' ILE . 2.1 t -117.77 -58.63 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -111.74 157.65 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -134.37 132.89 39.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 34' ' ' LEU . 14.1 tp -67.42 146.37 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -83.26 145.75 28.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.97 44.98 19.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.68 -168.5 18.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mt -77.6 -40.54 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -55.05 -69.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ALA . 37.8 tt0 -36.79 -39.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -69.63 -48.23 60.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -56.29 -44.75 89.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.96 26.32 0.85 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 mm -78.22 133.13 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -128.22 118.22 22.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -53.02 166.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 -34.61 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -72.41 143.85 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -99.43 146.84 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -90.81 130.29 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.92 -21.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -159.28 145.63 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.2 pp -141.43 128.43 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 m120 54.76 29.37 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.54 21.84 63.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.63 121.01 37.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 m -62.47 115.34 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.09 -13.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -45.35 -24.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.52 -33.52 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 83.7 m -49.59 139.22 15.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.81 141.41 44.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' PRO . 34.9 t60 -36.98 -51.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.89 -66.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ILE . 20.2 mmt-85 -52.4 -54.35 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ARG . 95.1 mt -38.07 -34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.95 -52.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.55 -48.53 79.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.6 mt -55.35 -63.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.2 -51.49 25.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.7 m -56.64 -47.61 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.1 mt-10 -55.75 -35.54 66.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 15' ' ' ARG . . . -56.77 120.87 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -110.21 170.22 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.43 -119.32 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -72.7 116.69 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG23 ' CD ' ' A' ' 15' ' ' ARG . 59.5 t -116.29 128.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -100.13 129.48 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -134.27 118.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -94.78 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 p -94.74 149.18 21.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -153.28 137.09 10.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.31 -41.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.85 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m -53.8 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -41.73 -67.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 mtm105 -48.11 -42.8 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.84 -36.04 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.9 m -79.84 115.73 19.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.4 m -107.65 133.06 52.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.52 140.62 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -112.37 136.36 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.42 HG23 ' CG2' ' A' ' 39' ' ' ILE . 44.6 mm -112.16 140.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -108.53 101.47 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 75' ' ' TYR . 12.5 mtm105 -110.71 81.7 2.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.635 0.731 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -10.28 28.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.1 t-80 -136.68 148.11 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.42 -32.89 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 44.4 mtp85 -84.02 29.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 132.6 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.1 178.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.1 mt -107.56 -45.97 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 -43.47 1.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 34.7 p90 -91.84 138.71 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.0 t -104.39 119.25 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -101.02 132.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -125.25 114.04 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 57.2 28.81 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.19 19.04 56.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.93 118.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 45' ' ' ILE . 10.1 mt -64.79 138.48 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.77 -47.63 2.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.38 151.89 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 2.6 tt -133.09 131.15 40.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -70.64 111.35 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -71.59 114.11 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.7 37.57 4.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.91 -137.56 4.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CG2' HG23 ' A' ' 13' ' ' ILE . 5.2 mt -96.72 -41.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -45.83 -41.66 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.18 86.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.59 29.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -87.61 141.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -132.45 122.54 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.2 158.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.78 -19.46 20.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -84.96 137.58 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -97.01 138.81 33.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.86 139.66 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -123.96 -15.72 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -162.58 146.64 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.6 pp -144.19 124.92 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 m120 51.65 26.77 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.5 20.97 53.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -117.6 120.94 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -67.23 109.58 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -105.06 -1.45 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.2 -26.27 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.56 15.99 10.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 m -101.24 138.48 19.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 111.131 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.75 141.41 45.19 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ALA . 6.9 t60 -39.32 -55.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.89 -63.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -55.01 -48.48 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.16 -40.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.74 -34.12 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.57 -29.65 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.2 mt -77.8 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.52 -44.17 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -67.07 -41.21 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.89 -12.48 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.39 112.53 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.451 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 2.9 m-85 -106.29 167.95 9.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.43 -118.45 14.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.8 98.98 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.59 108.68 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.47 119.17 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.68 119.79 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -90.78 109.12 20.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -99.16 147.5 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.96 137.06 9.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.97 6.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.28 -42.89 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' TYR . 44.9 m -50.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . 3.1 t80 -38.12 -63.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -48.12 -42.9 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.08 -33.15 75.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.901 0.381 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.9 m -93.21 125.61 37.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -111.74 138.72 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.421 HD13 ' CG ' ' A' ' 79' ' ' HIS . 38.9 mm -114.47 139.85 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 45' ' ' ILE . 6.7 mm -117.7 160.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.403 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 19.6 m-70 -118.36 101.44 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -110.75 84.23 4.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -18.0 37.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.436 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 t-80 -126.42 154.22 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.41 -36.63 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -83.9 28.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.4 mm-40 -122.64 139.35 54.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -68.86 -177.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.7 mt -110.62 -36.76 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.26 -35.83 4.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 51.2 p90 -97.61 142.8 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.66 131.0 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.57 126.19 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -118.12 109.92 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 62.41 32.38 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.7 63.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.402 HD13 ' CG ' ' A' ' 50' ' ' ARG . 1.3 mt -137.03 114.36 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.79 138.73 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.81 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -108.19 156.78 18.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 4.1 tt -140.77 129.02 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.44 98.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -62.68 94.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.57 -28.74 4.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -148.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -87.51 -32.23 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 34' ' ' LEU . . . -55.34 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -45.7 -50.03 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.38 -33.33 72.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.09 -44.43 23.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.22 40.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 13' ' ' ILE . 33.5 mm -89.5 143.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 45' ' ' ILE . 23.5 mmt-85 -130.83 119.88 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 34' ' ' LEU . 33.4 m -68.15 158.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.49 84.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -92.18 171.1 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' CG ' HD13 ' A' ' 30' ' ' ILE . 14.1 mtt180 -119.38 141.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mm -89.55 118.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.0 pt -106.22 -28.36 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -149.61 151.9 34.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -148.22 144.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.4 ' CG ' HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER 38.02 36.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.04 38.67 55.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' ILE . 18.9 mt-30 -139.0 123.09 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 111.19 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.73 10.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -44.47 -43.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.96 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 99.0 m -44.24 138.79 3.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.76 141.8 46.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.4 t60 -41.32 -55.37 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.81 -58.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.18 -50.93 71.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -44.59 -43.47 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG1' ' NE2' ' A' ' 64' ' ' HIS . 45.8 mm -60.91 -52.85 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.77 -38.62 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.64 -64.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -42.37 -42.68 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.2 m -70.92 -41.03 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.39 -12.6 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.05 117.17 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 4.5 m-85 -108.24 170.13 8.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.57 -112.85 2.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.25 91.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.13 102.39 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.421 ' CG ' HD13 ' A' ' 12' ' ' ILE . 6.6 m170 -79.04 137.88 37.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.9 mt -136.81 115.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -85.19 112.78 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -105.33 147.07 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.11 137.16 9.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.534 0.683 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.86 -41.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.55 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.1 m -40.1 -64.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -43.5 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -42.69 -41.72 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.4 -29.54 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' TYR . 26.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.902 0.382 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -91.68 126.23 36.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 11' ' ' ALA . 49.0 m -120.12 156.96 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 10' ' ' THR . . . -137.79 162.65 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mm -123.45 118.39 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' HB ' ' NH1' ' A' ' 15' ' ' ARG . 17.3 mm -102.67 144.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -114.45 103.03 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' NH1' ' HB ' ' A' ' 13' ' ' ILE . 37.5 mtt85 -107.19 84.59 1.73 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 -32.83 18.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -128.08 150.39 49.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.39 -31.34 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -83.26 26.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 6.1 mm-40 -122.16 131.5 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -49.58 174.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 17.2 mt -109.02 -61.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 124.24 -47.07 1.04 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.452 ' CZ ' HD12 ' A' ' 22' ' ' LEU . 42.8 p90 -85.81 135.73 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -103.6 125.18 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 27' ' ' GLU . 57.6 t -109.68 139.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.6 mm-40 -134.55 112.84 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.0 27.83 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.02 56.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -139.54 118.45 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.16 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 32' ' ' CYS . 14.9 mt -64.58 138.53 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' N ' HG22 ' A' ' 31' ' ' ILE . 12.3 m -116.18 -49.23 2.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -125.81 155.28 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 35' ' ' LEU . 2.5 tt -132.66 127.19 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HB3' ' CA ' ' A' ' 23' ' ' GLY . 9.2 tp -66.83 102.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.96 115.87 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.26 30.89 6.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.99 -151.25 8.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 6.8 mt -86.52 -57.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' ILE . . . -34.78 -62.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -43.57 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -54.7 -42.71 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.64 -43.69 98.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.1 28.39 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.2 mm -82.28 133.5 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -126.43 123.25 37.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.53 140.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.67 37.5 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -118.78 138.54 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -89.63 135.6 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 82' ' ' THR . 37.7 mm -82.13 132.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.89 -11.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -156.57 148.44 22.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -149.33 135.71 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 38.18 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 82.46 38.13 13.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.7 mm-40 -140.93 124.6 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.4 p -67.92 120.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.84 20.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.411 HG21 ' CE2' ' A' ' 88' ' ' TYR . 2.1 p -57.95 -28.29 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.98 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 94.3 m -43.56 139.01 2.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.73 158.13 58.05 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.3 t60 -52.98 -55.1 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.62 -59.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -61.56 -37.05 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.24 -30.94 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG1' ' NE2' ' A' ' 64' ' ' HIS . 28.3 mm -71.44 -47.63 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.33 -36.28 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.04 -68.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.47 -47.6 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.9 m -65.45 -39.84 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.1 mt-10 -60.55 -23.22 64.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.38 118.86 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -112.77 167.42 10.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.52 -124.34 8.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -80.53 110.37 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -117.59 129.24 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' CD1' ' A' ' 12' ' ' ILE . 11.0 m-70 -102.23 113.12 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.1 mt -112.4 121.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.12 107.93 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 51' ' ' ILE . 45.3 p -96.36 144.75 26.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -149.56 137.08 11.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 116.54 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -37.87 -38.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.23 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.4 m -41.64 -66.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -40.35 -62.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -47.26 -38.95 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.13 -29.34 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.933 0.397 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -87.97 112.48 22.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 m -103.91 137.71 41.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.68 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mt -111.57 141.39 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 HD13 ' CG1' ' A' ' 45' ' ' ILE . 24.4 mm -116.27 128.95 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -84.41 104.74 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -116.74 78.87 9.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.23 13.64 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.651 ' CE1' ' NH2' ' A' ' 19' ' ' ARG . 8.0 t-80 -157.37 157.99 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -90.82 -61.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' A' ' 17' ' ' HIS . 25.2 mtm105 -34.79 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 18' ' ' ALA . 52.4 mm-40 -77.51 136.56 38.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -72.88 -174.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 6.2 mt -106.33 -56.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.34 -32.96 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 50.8 p90 -95.49 140.71 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -107.83 127.47 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -103.33 129.65 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -120.7 110.88 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.76 27.41 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.44 20.07 52.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 HG12 ' CG ' ' A' ' 50' ' ' ARG . 36.8 mt -142.04 118.68 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' CYS . 20.2 mt -57.94 142.39 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' ILE . 6.9 t -120.31 -57.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.2 p -121.04 149.87 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 4.5 tt -124.86 137.2 54.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 tp -71.16 114.19 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -77.63 100.01 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.87 40.49 0.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.96 -144.77 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.2 mt -87.63 -47.97 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . . . -39.85 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.35 -47.42 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -59.13 -34.1 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.97 -44.97 17.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.74 22.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' O ' ' CD1' ' A' ' 34' ' ' LEU . 32.5 mm -70.14 129.23 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -125.55 110.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.3 m -54.11 164.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.92 -31.86 5.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.78 153.36 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.8 tmm_? -108.27 128.53 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 82' ' ' THR . 28.8 mm -67.66 135.06 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.75 -21.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -153.98 158.1 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 54' ' ' ILE . 2.0 pp -150.54 129.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 m120 45.7 32.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.93 28.68 40.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.72 126.13 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -70.94 118.88 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 20.4 m -109.21 -20.0 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' VAL . 2.5 p -35.86 -31.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -107.88 -25.47 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 98.4 m -56.83 138.97 78.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.578 0.704 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.71 139.91 41.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' ALA . 35.5 t60 -38.24 -59.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.83 -60.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -56.51 -48.05 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.0 mt -46.36 -48.04 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.52 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.81 -42.06 97.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.09 -68.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt -41.74 -38.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.8 m -72.77 -46.89 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 8.4 mt-10 -61.64 -27.57 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.87 114.48 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 5.8 m-85 -107.43 168.88 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.16 -127.64 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -74.68 109.13 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 103.79 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -80.63 102.56 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 97.6 mt -102.24 113.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -87.08 106.11 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 51' ' ' ILE . 20.0 p -97.78 131.83 43.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.64 137.12 22.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.228 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.31 -42.25 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.97 -66.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -47.74 -63.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -42.39 -62.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -47.99 -40.14 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.12 -21.98 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -111.76 -46.15 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.831 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -78.28 98.56 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.27 123.51 5.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -105.35 84.28 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -54.9 116.83 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.56 -75.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.426 HG23 ' CE ' ' A' ' 83' ' ' MET . 66.7 t -93.35 132.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -84.6 129.4 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -120.39 125.57 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' CA ' ' A' ' 44' ' ' GLY . . . -117.6 155.73 29.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -124.43 116.67 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 25.1 mm -94.48 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -102.12 100.16 10.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -107.58 82.81 1.39 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.92 29.19 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -125.86 154.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 -32.39 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mtt85 -83.97 29.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.3 mm-40 -118.63 140.84 49.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.06 -179.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.9 mt -109.87 -39.27 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.48 -46.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.6 p90 -88.77 132.2 34.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 t -99.99 122.1 42.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -103.36 137.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -132.27 113.42 13.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.44 33.17 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.82 17.49 72.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.53 118.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 45' ' ' ILE . 14.8 mt -62.61 139.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 1.8 t -118.97 -59.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -112.83 157.09 21.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tt -134.82 132.58 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 120.69 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -66.95 127.45 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.22 47.51 44.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.3 -146.0 6.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' ALA . 17.0 mt -92.62 -52.68 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' ILE . . . -35.91 -60.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -50.6 -42.17 55.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ILE . 84.3 mtt180 -64.55 -50.92 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.94 73.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 11' ' ' ALA . . . 137.08 30.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 31' ' ' ILE . 29.9 mm -87.85 132.15 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.12 123.24 22.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 20.6 m -53.23 154.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.97 -32.53 6.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.1 142.63 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -98.33 151.39 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.04 132.47 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.8 pt -123.4 -15.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -161.37 147.59 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 54' ' ' ILE . 2.0 pp -147.39 140.61 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 43.05 30.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.82 39.48 24.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -64.5 115.37 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.16 14.4 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.31 -36.59 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.12 18.87 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 75.9 m -97.19 138.42 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.82 133.98 26.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.447 ' NE2' ' CG1' ' A' ' 68' ' ' ILE . 6.7 t60 -36.22 -54.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.63 -58.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.07 -50.97 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.9 mt -42.53 -41.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG1' ' NE2' ' A' ' 64' ' ' HIS . 25.1 mm -64.69 -46.63 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.29 -35.56 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.02 -67.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -42.73 -44.44 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -59.83 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.71 -29.51 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 113.32 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.95 168.18 10.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.86 -111.41 4.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -82.66 96.46 8.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.47 124.54 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -101.67 107.77 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.3 mt -109.04 114.01 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -89.08 108.17 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -98.95 149.97 22.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 12.2 ttt -155.88 139.56 11.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.77 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.76 -41.45 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.442 HG22 ' CD1' ' A' ' 91' ' ' LEU . 4.1 m -54.52 -58.83 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -42.67 -61.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -55.55 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.44 -37.8 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 9.4 mt -66.66 -50.67 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -90.27 24.12 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.69 -43.28 5.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -136.42 141.19 43.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -148.44 172.53 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.37 154.98 26.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -133.12 168.74 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -116.84 131.35 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.91 -86.66 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.04 130.85 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.39 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.7 m -92.62 119.22 31.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 11' ' ' ALA . 40.7 m -102.61 146.56 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 10' ' ' THR . . . -142.11 147.89 37.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -123.98 136.18 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 45' ' ' ILE . 10.7 mm -116.86 147.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.1 101.83 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 9.3 mtp-105 -117.5 81.79 14.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -21.64 33.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -121.81 145.03 48.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 -36.46 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -83.97 29.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 54.7 mm-40 -119.48 131.84 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -45.54 171.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt -103.58 -47.36 4.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.44 -43.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE1' HD23 ' A' ' 22' ' ' LEU . 28.9 p90 -97.62 141.68 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.81 124.26 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -109.23 127.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.13 114.95 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.6 25.68 15.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.89 21.27 47.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.434 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 54.6 mt -139.49 115.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 mt -60.99 142.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 50.4 t -124.4 -48.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 t -122.71 155.59 36.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -134.7 136.02 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.61 116.45 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -72.18 106.52 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.83 43.01 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.63 -146.4 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.7 mt -88.92 -48.63 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.0 -63.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -41.45 -50.36 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -65.84 -35.05 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.66 -46.53 83.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.53 27.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CG1' HD11 ' A' ' 13' ' ' ILE . 49.8 mm -81.14 142.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' N ' HG23 ' A' ' 45' ' ' ILE . 13.2 mmm-85 -133.99 117.06 16.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 m -61.95 150.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.55 -11.83 59.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -93.67 165.07 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.38 134.8 53.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.47 107.63 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.69 -26.08 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -149.45 156.58 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.411 HD11 ' C ' ' A' ' 54' ' ' ILE . 1.8 pp -148.74 136.57 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ILE . 73.1 m-20 36.96 37.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.54 48.21 14.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -150.28 118.46 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -65.7 115.47 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.67 -0.27 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -23.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.21 -30.39 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 78.0 m -54.32 138.01 58.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.8 146.09 58.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ALA . 4.5 t60 -46.16 -55.66 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.16 -63.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' CZ ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.13 -52.03 67.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 64.0 mt -42.3 -39.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.8 mm -64.71 -38.15 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.3 mm-40 -67.72 -39.52 84.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' HG ' ' CZ ' ' A' ' 66' ' ' ARG . 36.2 mt -66.12 -68.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -40.93 -52.73 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.0 m -61.32 -44.08 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 mm-40 -57.31 -31.75 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.15 121.35 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.46 171.8 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -115.72 4.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 9.9 tt0 -72.34 110.32 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.3 t -113.26 100.37 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.403 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 11.4 m170 -77.95 138.65 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -140.39 120.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -94.08 107.34 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 132.36 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.473 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.8 ttt -142.52 139.57 17.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.4 Cg_endo -69.78 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.4 -34.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -58.11 -66.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.1 m -53.21 -60.85 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -42.9 -58.42 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -51.61 -50.18 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.58 -36.25 73.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.19 -50.34 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -90.06 22.32 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.4 -115.45 3.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -113.06 164.23 13.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m -114.35 151.11 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.86 171.38 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -117.59 -51.85 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -173.44 118.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.3 -42.12 0.22 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 t -128.39 136.62 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -81.02 103.75 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -92.69 130.05 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.81 146.35 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -118.55 134.79 61.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.87 135.51 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -97.07 102.23 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -111.45 81.4 3.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.86 27.07 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -122.54 148.3 45.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.8 -36.76 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -83.91 29.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 36.3 mm-40 -116.93 128.27 55.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -48.89 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 17.7 mt -104.76 -60.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.54 -42.52 1.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 22' ' ' LEU . 50.2 p90 -91.23 132.8 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -97.45 121.08 38.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -103.17 139.9 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -135.93 122.31 20.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.87 25.67 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.33 18.75 56.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 70.2 mt -138.27 121.51 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.45 136.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.6 -58.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -110.73 155.27 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -135.63 129.7 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.81 137.84 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -80.26 137.93 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.21 44.27 96.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.54 -164.31 13.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -80.06 -39.86 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.83 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -42.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -69.87 -35.95 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -70.85 -41.54 62.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.55 35.16 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.7 mm -92.65 137.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -134.04 115.11 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.7 m -54.96 151.31 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.51 -20.39 49.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -84.16 133.47 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' MET . 11.8 tpt180 -85.91 130.53 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.27 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 88' ' ' TYR . 44.7 pt -123.2 -12.87 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.06 148.08 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 pp -146.48 132.86 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m120 49.49 28.45 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.77 39.97 16.0 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -142.7 126.49 17.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -67.33 115.07 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -106.77 -5.45 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.35 -29.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 24.83 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.055 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 84.7 m -117.99 139.19 26.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 148.82 65.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.47 ' NE2' ' CD1' ' A' ' 68' ' ' ILE . 32.4 t60 -45.66 -54.75 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -56.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 6.9 tpt180 -64.94 -49.17 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.3 mt -45.05 -43.69 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.47 ' CD1' ' NE2' ' A' ' 64' ' ' HIS . 37.5 mm -65.73 -45.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.89 -41.97 92.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.1 mt -65.49 -66.22 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -43.02 -48.56 6.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.2 m -61.84 -45.69 92.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.4 mt-10 -55.52 -31.47 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.82 123.02 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 54.9 m-85 -120.56 165.95 14.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.65 -106.33 1.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -95.37 100.39 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.65 117.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -90.27 102.98 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.51 111.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -86.28 106.69 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 p -98.16 150.9 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' ARG . 1.1 tpt -156.01 137.03 9.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.52 4.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.7 -33.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -65.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 m -57.45 -57.52 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.548 ' CE2' HG21 ' A' ' 52' ' ' ILE . 3.1 t80 -45.84 -56.13 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.97 -45.59 74.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.11 -32.25 73.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt -72.42 -48.93 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 p -72.13 -11.79 60.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . . . -89.74 -81.62 1.34 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 93' ' ' GLY . 5.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -91.1 171.17 9.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -69.38 139.85 54.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.86 -118.73 0.49 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t 69.41 44.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -105.18 95.49 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.3 -87.34 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.1 t -81.69 123.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.1 m -86.21 124.83 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -110.8 142.53 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.57 155.42 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mm -127.7 116.17 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 17.5 mm -100.6 132.21 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.55 100.14 11.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -107.37 83.93 1.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.44 24.15 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -124.6 139.88 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.94 -30.98 31.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 14.6 mtp180 -83.75 29.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 5.6 mm-40 -120.19 137.46 54.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -56.75 173.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.7 mt -105.28 -57.64 2.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.01 -38.74 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.49 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.5 p90 -93.28 122.64 35.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -86.76 133.59 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.71 144.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.38 122.18 12.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 56.66 27.03 11.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.15 22.64 54.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 74.7 mt -139.17 121.17 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 47' ' ' VAL . 31.8 mt -67.87 143.38 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.0 t -117.37 -60.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -116.71 161.98 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 4.0 tt -135.42 131.92 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.92 100.05 1.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -60.01 123.27 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.67 29.7 10.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.31 -140.08 5.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' ALA . 8.8 mt -95.65 -50.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -35.84 -59.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.04 -44.65 67.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -59.61 -54.49 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.44 96.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.46 31.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.97 130.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -123.11 112.89 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 28.9 m -55.48 151.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.86 -26.87 12.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -74.92 131.25 40.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' MET . 4.6 tpp85 -84.29 133.19 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 HG21 ' CG2' ' A' ' 59' ' ' VAL . 12.2 mm -75.62 142.93 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.51 HG21 ' CE2' ' A' ' 88' ' ' TYR . 35.2 pt -126.13 -28.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -153.98 131.24 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.5 pp -123.85 144.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ILE . 67.8 m-80 37.37 29.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.86 42.54 12.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ILE . 21.1 mm-40 -145.66 130.13 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.8 p -64.66 123.21 18.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 51' ' ' ILE . 30.0 m -121.38 -12.64 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -44.9 -24.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.05 -34.94 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 84.9 m -48.11 139.18 10.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.78 134.45 27.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CE1' HD13 ' A' ' 68' ' ' ILE . 11.3 t60 -36.11 -53.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.51 -51.58 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -69.71 -46.88 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.16 -42.37 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 64' ' ' HIS . 11.2 mm -67.27 -40.42 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.19 -44.33 92.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.24 -67.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -41.74 -44.92 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.6 m -65.25 -50.59 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 5.3 mm-40 -56.57 -34.87 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.33 126.51 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.9 m-85 -114.51 172.2 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.4 -121.48 14.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.425 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 131.9 43.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.44 103.98 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -82.75 103.55 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.7 mt -109.26 110.47 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -86.8 106.07 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -97.54 135.94 38.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ARG . 9.1 ttt -139.8 140.13 23.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.2 Cg_endo -69.71 114.69 3.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.07 -42.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.07 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 48.1 m -53.89 -64.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.51 ' CE2' HG21 ' A' ' 52' ' ' ILE . 4.1 t80 -37.57 -61.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -50.72 -47.67 59.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.66 -39.43 77.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 7.5 mt -66.48 -54.53 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.1 t -91.87 26.22 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.54 140.2 4.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -154.73 114.83 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -77.29 132.75 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.59 58.1 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -153.44 127.17 8.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -158.27 134.3 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.39 -72.19 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -78.24 134.13 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 m -82.39 123.87 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.1 m -116.52 128.8 55.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.39 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt -119.74 140.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -118.44 150.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -103.62 101.27 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' NH1' HD22 ' A' ' 22' ' ' LEU . 37.2 mtt-85 -115.04 83.38 9.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -19.64 35.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -127.66 137.49 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.62 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 43.2 mtp85 -84.0 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 4.5 mm-40 -117.87 146.92 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -52.99 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD22 ' NH1' ' A' ' 15' ' ' ARG . 15.0 mt -117.32 -51.25 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.11 -43.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -93.05 123.03 36.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -84.66 120.78 26.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.51 128.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -119.5 112.26 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.25 29.36 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.97 58.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -134.03 113.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.74 130.27 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 39.2 t -109.74 -51.23 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -120.42 161.1 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.18 135.75 37.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.99 116.16 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -74.01 110.32 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.21 36.83 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.22 -149.3 8.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.3 mt -89.64 -46.7 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -49.59 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.38 -45.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -72.42 -36.17 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -64.37 -48.03 78.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.78 32.99 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -94.02 132.73 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -130.38 124.78 32.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.8 162.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.87 -34.48 4.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -78.97 134.13 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -89.54 143.35 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -82.37 131.86 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 pt -122.49 -12.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.23 135.53 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.1 pp -137.75 145.99 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 74' ' ' ALA . 12.9 m120 38.25 34.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.73 42.52 53.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . 8.7 mt-30 -143.68 121.38 11.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -63.7 113.14 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.49 10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.65 -25.74 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 -37.86 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 96.7 m -37.8 139.06 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.69 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.511 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.3 t60 -40.34 -57.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.73 -56.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -62.69 -47.03 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.31 -44.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mm -62.22 -42.72 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.29 -38.15 85.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.91 -66.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -42.62 -41.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.9 m -64.95 -48.68 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 51.8 mm-40 -57.02 -34.55 68.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -62.7 114.54 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.39 164.04 12.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.55 -110.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.03 124.24 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.76 104.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.1 109.45 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -112.38 114.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -89.55 106.31 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -96.13 146.13 24.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.3 tpt -146.56 136.27 11.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 122.04 8.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 89' ' ' ARG . . . -45.35 -39.07 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.6 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.8 m -52.09 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -44.01 -57.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 15.2 mmm180 -48.51 -47.04 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.92 -35.87 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.5 p -93.64 17.02 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.51 -176.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.947 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -126.39 42.13 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 m -87.59 176.57 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.24 -102.39 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -99.92 105.19 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -139.82 134.01 31.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.48 -57.66 4.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 83' ' ' MET . 51.9 t -104.35 121.06 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -81.12 118.2 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 m -104.88 125.41 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.07 149.08 48.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.07 134.67 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 4.9 mm -114.56 152.08 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -110.71 105.05 13.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 12.5 mtp-105 -116.5 87.57 21.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.19 12.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.222 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.5 t-80 -115.7 149.55 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.78 18.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 98.0 mtt180 -83.94 29.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 9.5 mm-40 -122.16 126.25 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -45.39 169.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 24' ' ' PHE . 5.6 mt -99.9 -46.86 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.97 -44.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.0 p90 -90.63 133.05 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -95.71 119.0 33.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -109.61 136.39 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -129.58 110.8 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.33 29.3 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.03 23.43 49.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.09 116.23 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 32' ' ' CYS . 11.8 mt -68.74 142.93 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 31' ' ' ILE . 46.2 t -126.91 -47.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -118.11 161.96 18.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tt -142.52 131.76 23.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.34 109.18 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -68.18 105.16 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.44 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.76 -148.56 7.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mt -88.91 -42.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -49.07 -68.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' ALA . 30.7 tt0 -36.66 -49.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -66.79 -37.9 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.82 -47.82 82.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.8 27.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.422 ' CG1' HD13 ' A' ' 13' ' ' ILE . 37.4 mm -81.12 142.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 45' ' ' ILE . 17.4 mmt180 -136.42 113.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -54.5 160.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.57 -12.31 56.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.49 133.19 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -85.14 142.43 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.424 ' CD1' HG21 ' A' ' 82' ' ' THR . 49.5 mm -86.91 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 pt -123.57 -15.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' C ' HG22 ' A' ' 54' ' ' ILE . 29.4 tt0 -155.04 144.24 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 54' ' ' ILE . 2.3 pp -145.1 142.14 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' ILE . 69.4 m-80 36.75 38.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.74 49.87 27.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -149.13 124.5 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -67.87 102.79 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.37 11.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' A' ' 88' ' ' TYR . 12.4 p -52.67 -26.65 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.79 -33.83 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 97.1 m -44.71 138.76 3.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.78 138.63 38.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' ALA . 39.6 t60 -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -37.71 -53.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.19 -42.11 84.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.0 mt -50.43 -41.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.92 -44.92 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.21 -41.5 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.34 -66.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mt -43.9 -53.07 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.3 m -59.62 -45.72 91.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 6.7 mm-40 -64.72 -17.97 64.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.59 113.61 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.14 167.86 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.51 -118.63 14.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 32.8 tt0 -78.54 119.9 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.7 99.97 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.439 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 51.9 m-70 -80.08 104.33 10.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.1 mt -108.18 122.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 53' ' ' GLU . 17.7 tttt -98.52 106.11 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 51' ' ' ILE . 58.2 p -97.37 153.17 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.6 ttt -153.26 140.0 12.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.78 121.04 7.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.25 -40.05 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.93 -65.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.8 m -51.0 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' CE2' HG21 ' A' ' 60' ' ' VAL . 2.0 t80 -38.31 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -52.05 -42.05 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.35 -31.48 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.57 -33.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -93.97 23.76 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.64 -78.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -91.25 103.13 15.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -117.21 145.37 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.15 98.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -52.36 169.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -126.07 47.54 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.62 -45.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.9 t -103.76 138.46 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -85.04 128.96 34.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -112.01 131.26 55.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.75 126.34 36.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mt -105.63 134.64 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 22' ' ' LEU . 34.4 mm -111.62 154.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.81 100.12 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -111.05 80.42 2.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.91 33.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -151.4 144.77 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.47 -59.79 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 22.7 mmm180 -34.4 -32.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 8.5 mm-40 -80.86 131.88 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -67.02 -174.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 13' ' ' ILE . 4.9 mt -104.55 -42.34 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.87 -41.22 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CE1' HD11 ' A' ' 22' ' ' LEU . 38.8 p90 -87.41 134.29 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.76 127.59 48.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.32 128.88 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -125.61 102.99 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.493 ' H ' ' CE1' ' A' ' 64' ' ' HIS . 3.2 t70 74.14 36.75 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.36 18.08 79.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -139.79 119.92 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 32' ' ' CYS . 17.8 mt -61.68 138.86 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 31' ' ' ILE . 14.1 t -115.39 -64.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -111.69 157.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -129.14 132.49 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.78 132.02 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 17.8 ttp-105 -78.18 149.33 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.87 39.24 47.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.17 8.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.89 -43.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.54 -65.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.32 -50.76 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -61.54 -39.34 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.6 -48.06 71.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.73 8.45 3.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CG1' HD12 ' A' ' 13' ' ' ILE . 18.4 mm -56.73 132.57 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -125.46 116.36 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.8 168.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.01 -38.08 2.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -73.04 137.18 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -90.4 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.6 mm -80.77 133.83 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.7 pt -117.14 -26.04 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -145.16 157.11 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.9 pp -153.18 128.32 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 m120 43.04 34.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.91 41.37 23.16 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.53 134.69 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -71.75 114.48 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.51 -12.26 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.61 -23.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.85 -29.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 93.4 m -49.15 139.07 13.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 133.44 25.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CE1' ' H ' ' A' ' 28' ' ' ASP . 23.6 t60 -34.73 -49.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.14 -69.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -49.01 -51.54 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.8 mt -41.27 -39.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.32 -45.93 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.83 -38.86 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.44 -70.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 mt -39.1 -47.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -62.74 -49.57 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 44.2 mt-10 -57.57 -36.27 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 113.92 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 8.6 m-85 -109.36 161.25 15.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.98 -122.65 10.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.06 104.26 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.34 99.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.91 105.64 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.1 mt -105.6 116.99 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -89.61 109.06 20.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.7 p -99.03 148.67 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 12.0 ttt -156.64 139.82 11.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.83 -41.27 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.86 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -47.73 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -41.58 -61.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -46.8 -55.46 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.73 -36.75 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.75 -53.56 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -90.9 27.47 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -102.18 172.66 22.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.92 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m -95.87 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.819 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -83.04 123.27 29.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.16 -114.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -86.62 153.27 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -152.72 124.38 7.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.69 -70.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 HG22 ' CE ' ' A' ' 83' ' ' MET . 96.6 t -112.13 127.6 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.125 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 m -83.55 117.94 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 m -103.21 134.74 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.47 148.56 51.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.91 126.42 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 20.8 mm -105.65 157.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -125.31 106.35 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' CZ ' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.69 92.49 33.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.93 37.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.402 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -136.83 147.12 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.3 -32.05 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 27.6 mtt-85 -83.99 29.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 40.1 mm-40 -124.04 136.68 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -50.0 171.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 12.5 mt -107.63 -46.7 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.29 -46.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 40.4 p90 -87.41 134.66 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.4 m -102.07 122.69 44.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 27' ' ' GLU . 93.3 t -108.23 135.23 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 26' ' ' VAL . 6.7 mm-40 -126.9 116.71 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.54 25.38 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.87 20.65 42.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.6 mt -138.91 114.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.9 mt -61.68 138.99 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -121.64 -46.57 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -122.69 156.66 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 1.3 tt -137.98 127.83 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 94.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 -13.72 27.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.57 -142.98 3.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.2 mt -89.46 -40.46 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 111.091 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -52.12 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 5.6 tm-20 -46.88 -43.03 18.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.38 -22.22 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.64 -46.88 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.03 19.98 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.5 mm -74.79 143.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -129.4 130.48 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.45 162.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.92 -16.84 13.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -87.28 144.88 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -100.93 141.66 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.7 mm -82.83 133.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.7 pt -121.25 -13.32 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -159.37 150.19 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.9 pp -149.0 133.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 42.77 33.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.38 32.79 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ILE . 34.1 mt-30 -133.96 121.76 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -60.81 116.79 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -108.51 -5.43 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 p -51.69 -22.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.87 -28.97 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 85.5 m -47.88 139.15 9.47 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.541 0.686 . . . . 0.0 111.204 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 140.46 42.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' PRO . 23.7 t60 -35.92 -53.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.3 -66.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -48.09 -57.18 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -40.04 -37.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -75.7 -53.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.85 -57.66 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.3 mt -47.05 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -44.78 -66.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -44.76 -46.67 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 44.5 mt-10 -58.24 -33.22 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.15 117.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -103.23 171.01 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.74 -121.89 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.33 129.67 38.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 15' ' ' ARG . 54.2 t -133.43 105.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.41 114.49 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.1 mt -116.54 110.56 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -85.2 106.82 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 p -96.49 145.7 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.47 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 9.6 ttt -153.44 140.07 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.22 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.53 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' LEU . 8.8 m -53.61 -68.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 5.1 t80 -37.82 -53.5 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -57.56 -40.28 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' THR . 15.0 mt -68.46 -26.94 65.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 88' ' ' TYR . 9.8 mt -75.78 -48.07 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -73.08 -11.37 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.42 75.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -110.46 116.82 32.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -172.36 125.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.51 -171.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 t -107.19 161.56 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 t -145.37 144.15 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.31 -72.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 t -81.09 131.87 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -79.63 115.39 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -108.34 141.49 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.73 143.46 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 79' ' ' HIS . 14.4 mm -116.8 128.55 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 18.1 mm -104.83 153.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -113.92 102.49 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' CD ' HD21 ' A' ' 22' ' ' LEU . 9.6 mtm180 -110.0 81.18 2.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.71 29.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -156.01 142.63 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.75 -57.42 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 27.8 mmt180 -34.75 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.7 mm-40 -80.91 142.71 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -71.87 -174.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 HD21 ' CD ' ' A' ' 15' ' ' ARG . 6.4 mt -107.56 -46.44 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.55 -46.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -85.91 144.73 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -113.8 125.34 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.61 136.04 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.53 113.71 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.62 28.33 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.71 17.7 57.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -140.06 119.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 32' ' ' CYS . 24.2 mt -59.27 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.436 ' N ' HG21 ' A' ' 31' ' ' ILE . 1.9 t -113.05 -62.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t -116.54 155.61 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 2.8 tt -128.42 131.97 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.08 112.16 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -66.98 123.46 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.08 9.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.71 -150.42 8.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -89.66 -38.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -50.83 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -46.97 -39.4 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -68.0 -43.57 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.88 95.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.02 28.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.39 138.89 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -136.61 127.95 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 m -59.58 170.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -31.81 3.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -79.2 142.27 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -96.32 154.1 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -90.83 135.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.33 -20.2 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' C ' HG21 ' A' ' 54' ' ' ILE . 16.2 tt0 -155.94 153.35 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.9 pp -150.0 135.09 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' ILE . 58.5 m-80 37.15 33.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 80.24 38.56 18.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' ILE . 12.4 mm-40 -140.74 122.78 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -71.82 114.86 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.25 6.88 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.6 -20.73 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.12 -21.42 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 85.7 m -68.59 139.19 91.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.5 Cg_endo -69.77 139.65 40.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.436 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 73.0 t60 -42.7 -52.35 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -54.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -43.14 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 64' ' ' HIS . 87.4 mt -47.18 -35.67 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.79 -39.47 81.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.9 mt -69.04 -67.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.26 -46.68 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -68.46 -35.59 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 mm-40 -66.23 -18.3 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.63 116.59 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.47 167.78 9.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.66 -119.24 16.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.44 118.38 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.49 111.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 12' ' ' ILE . 13.5 m-70 -89.91 101.86 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mt -103.89 126.36 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.82 106.07 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -98.76 150.33 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.468 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 7.9 ttt -159.19 139.76 9.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.74 115.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.85 -38.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' TYR . 85.6 m -52.1 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' THR . 2.6 t80 -37.91 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -48.52 -44.99 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.75 -28.15 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.38 -48.28 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 57.5 p -69.85 -27.49 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.81 -66.45 2.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p 46.33 42.07 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -108.35 164.63 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.59 131.61 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -108.35 39.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.835 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 99.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.4 -57.06 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.3 t -106.05 145.52 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -97.0 139.61 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -124.14 146.53 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.36 140.26 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mm -113.16 145.15 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.97 153.79 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -108.37 100.5 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.0 mtp-105 -115.5 86.71 15.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.85 32.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.404 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.462 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -127.9 139.07 52.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.04 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mtp180 -84.01 29.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 23.8 mm-40 -120.72 135.48 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -47.77 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 24' ' ' PHE . 8.2 mt -107.13 -47.16 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.43 -45.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 22' ' ' LEU . 44.9 p90 -89.73 122.72 33.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -82.08 121.42 26.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 27' ' ' GLU . 87.5 t -111.03 135.21 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 mm-40 -125.82 120.43 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.78 27.07 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.04 46.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.27 116.27 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 mt -62.89 140.39 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -124.01 -46.29 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -125.31 161.09 27.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 35' ' ' LEU . 3.0 tt -135.08 136.56 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 34' ' ' LEU . 7.7 tp -69.93 112.8 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -55.18 136.86 48.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.94 52.85 36.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.05 -153.77 9.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.9 mt -85.31 -47.19 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -50.63 -62.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.76 -42.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -74.03 -36.09 64.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -67.67 -45.8 73.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.78 28.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 46' ' ' ARG . 18.7 mm -80.43 134.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 45' ' ' ILE . 10.2 mmm180 -128.8 116.22 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -57.38 155.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.8 -35.93 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -77.68 140.58 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 7.6 ttm180 -90.44 145.61 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 48.6 mm -86.73 120.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.9 pt -107.45 -24.73 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' C ' HG23 ' A' ' 54' ' ' ILE . 8.0 tt0 -147.4 148.71 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG23 ' C ' ' A' ' 53' ' ' GLU . 2.1 pp -147.0 136.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 42.45 40.92 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.05 43.01 74.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -140.95 124.45 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -71.0 110.3 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.77 36.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' A' ' 88' ' ' TYR . 3.9 p -67.81 -22.04 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' THR . . . -116.9 -40.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 93.7 m -34.21 137.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.74 140.49 42.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.534 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 1.8 t60 -39.45 -54.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -37.94 -53.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.45 -47.51 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.95 -41.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CG1' ' CD2' ' A' ' 64' ' ' HIS . 5.2 mm -62.69 -51.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.7 -33.7 48.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.1 mt -69.46 -60.87 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.08 -47.18 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -55.6 -41.2 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.51 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 7.8 mt-10 -62.39 -24.56 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.04 134.86 39.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 4.1 m-85 -120.02 168.95 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' ARG . . . 42.95 -107.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -72.82 106.84 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.02 102.3 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.66 142.55 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.3 mt -147.0 112.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.57 109.34 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 p -95.08 143.39 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.43 137.12 10.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.82 -44.0 38.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.17 -66.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.2 m -45.88 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.522 ' CE2' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -41.14 -61.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -48.68 -41.96 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.82 -21.36 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 88' ' ' TYR . 17.2 mt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 t -71.27 0.83 7.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.88 -59.82 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 48.18 42.13 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.61 169.45 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.84 57.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -83.93 157.83 21.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -119.66 38.51 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.91 -39.45 0.82 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -94.7 126.65 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -81.11 114.73 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 11' ' ' ALA . 42.7 m -107.53 142.85 36.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.169 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' N ' HG21 ' A' ' 10' ' ' THR . . . -143.1 148.48 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -123.14 130.77 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 3.8 mm -111.24 159.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -126.34 101.23 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' NE ' ' CG2' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -111.92 88.94 10.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.77 31.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.282 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -123.41 142.8 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.16 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 80.0 mtt180 -83.87 29.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 17.0 mm-40 -120.89 137.93 54.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -50.34 167.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.21 -38.38 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.22 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -85.79 133.84 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -98.29 119.29 36.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.95 135.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -130.43 123.69 30.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.09 25.41 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.71 19.11 53.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.66 120.39 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.414 HD11 ' CG2' ' A' ' 45' ' ' ILE . 13.1 mt -66.35 139.31 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.08 -47.22 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -123.87 160.08 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tt -138.55 132.33 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.66 126.69 29.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -80.43 116.92 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.99 45.15 5.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.49 -141.13 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.08 -46.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -46.76 -64.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.26 -48.75 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.93 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.73 -44.71 97.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.436 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.83 27.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' CG2' HD11 ' A' ' 31' ' ' ILE . 45.7 mm -83.03 136.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.23 113.6 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 m -56.21 149.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.81 -19.58 51.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -95.02 136.94 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 10.2 ttt180 -89.1 144.63 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.414 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 7.3 mm -82.44 133.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.3 pt -118.88 -14.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.08 152.58 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -146.73 140.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ILE . 66.1 m-80 35.66 31.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.75 41.99 14.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.2 mm100 -142.57 125.02 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 t -61.4 123.02 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.37 -6.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.04 -31.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.06 25.75 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 81.7 m -110.77 139.31 21.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.569 0.699 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.6 Cg_endo -69.82 143.67 51.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.229 . . . . 0.0 112.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.649 ' CD2' ' CG1' ' A' ' 68' ' ' ILE . 10.1 t60 -42.96 -52.41 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -59.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.63 -50.23 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -49.17 -50.5 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.649 ' CG1' ' CD2' ' A' ' 64' ' ' HIS . 47.6 mm -57.29 -44.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -46.24 90.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -59.22 -68.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.83 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -56.41 -37.21 69.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.84 -15.74 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.68 116.72 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -107.05 163.94 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.44 -122.98 24.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.34 123.49 23.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.573 ' CG2' ' NE ' ' A' ' 15' ' ' ARG . 55.8 t -130.59 109.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -86.06 118.36 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.45 112.01 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 81' ' ' LYS . 2.6 ttmp? -88.63 106.57 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 p -95.37 153.08 17.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -151.22 137.13 11.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.77 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.44 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -49.59 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -39.69 -56.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -54.64 -47.6 73.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.71 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.53 -56.03 6.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -70.34 -3.07 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.15 169.32 38.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -57.12 98.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 m -64.6 -55.36 20.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.18 -102.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -87.12 118.59 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -65.7 159.31 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.54 -77.74 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -106.45 138.15 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -84.12 140.16 31.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -125.64 128.47 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 149.8 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -121.31 130.42 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 14' ' ' HIS . 26.4 mm -109.24 148.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.5 m80 -108.72 100.9 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -114.67 88.84 17.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.05 21.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 3.6 t-80 -120.46 150.2 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.96 -33.39 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -83.9 29.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 10.3 mm-40 -121.14 132.72 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.32 168.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.6 -45.31 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.76 -49.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -88.23 120.02 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -83.36 118.6 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.4 t -107.86 145.69 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -142.99 118.27 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.32 26.63 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.86 21.79 51.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 70.2 mt -140.95 121.01 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.8 140.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.75 -42.86 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -132.09 156.7 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.75 135.92 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.54 110.44 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -66.63 113.41 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.9 42.54 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.84 -142.91 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.63 -42.32 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -50.69 -58.94 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -43.24 -39.62 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -77.65 -28.02 51.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.02 -38.31 40.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.55 23.64 1.49 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 46' ' ' ARG . 36.5 mm -79.95 136.66 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 45' ' ' ILE . 11.7 mmt85 -135.1 125.28 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.65 151.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.57 -25.55 20.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -77.11 150.52 35.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.27 135.5 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' CD1' HG23 ' A' ' 82' ' ' THR . 9.3 mm -84.74 119.28 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -105.74 -25.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' C ' HG23 ' A' ' 54' ' ' ILE . 14.6 tt0 -146.53 149.1 32.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 55' ' ' ASN . 2.0 pp -146.99 146.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.563 ' ND2' ' CB ' ' A' ' 74' ' ' ALA . 27.0 m120 34.55 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.45 48.48 77.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -150.38 119.41 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -65.31 122.05 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.04 10.42 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.4 -21.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.22 -29.34 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 90.7 m -53.55 138.05 51.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.688 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.72 152.82 69.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' NE2' ' CD1' ' A' ' 68' ' ' ILE . 11.3 t60 -53.41 -53.66 48.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.17 -42.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -79.35 -40.59 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -55.81 -32.48 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.439 ' CD1' ' NE2' ' A' ' 64' ' ' HIS . 47.4 mm -68.63 -34.86 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -72.65 -31.03 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.98 -61.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -49.23 -52.96 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.6 m -59.1 -37.38 77.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 42.9 mt-10 -64.05 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -88.14 117.91 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -104.24 171.14 7.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.67 -108.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -79.68 133.34 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -131.45 106.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -83.62 106.14 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.29 123.84 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -96.32 108.37 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 HG23 ' CD1' ' A' ' 51' ' ' ILE . 50.7 p -96.45 141.95 29.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.53 136.15 11.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.61 -41.28 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.06 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' TYR . 27.2 m -54.46 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' THR . 2.9 t80 -36.74 -60.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -52.19 -46.52 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.87 -22.95 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -81.02 -38.52 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.3 p -93.9 21.93 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.53 -175.5 37.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -123.55 155.33 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -128.43 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.8 83.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -99.72 149.04 23.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -73.09 140.31 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.28 -92.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.73 143.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 111.091 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -111.41 114.76 28.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 m -96.25 139.11 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mm -117.89 131.08 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.19 125.63 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -83.34 101.86 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 20' ' ' GLU . 12.6 mtp180 -109.73 79.83 1.51 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -158.7 153.6 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -86.5 -59.21 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -34.76 -32.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 26.6 mm-40 -79.4 142.18 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.27 -174.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 6.9 mt -103.86 -41.7 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 -42.16 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 51.2 p90 -87.19 140.92 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.3 t -107.39 127.04 53.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 27' ' ' GLU . 95.8 t -106.37 136.99 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' VAL . 30.8 mt-10 -126.25 114.3 18.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.73 27.81 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.42 41.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -141.12 115.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mt -59.57 140.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.435 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 4.8 t -121.06 -62.05 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -111.78 156.31 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tt -132.79 133.15 43.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.3 118.94 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -74.33 120.01 19.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 36.36 8.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.48 -140.02 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mt -99.17 -51.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -40.19 -65.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -41.57 -34.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -82.13 -32.84 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -71.65 -44.21 49.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.95 26.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.0 mm -85.72 132.16 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -133.02 117.24 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 21.2 m -47.77 170.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -37.62 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.81 152.42 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 23.3 ttt180 -108.89 148.44 30.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 35.5 mm -88.12 131.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG22 ' CE2' ' A' ' 88' ' ' TYR . 40.1 pt -121.05 -17.32 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.27 154.36 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.4 pp -152.66 124.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.5 m120 51.96 26.93 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 18.66 58.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -119.03 121.63 40.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -63.89 114.22 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -104.49 -15.81 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.29 -33.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.73 -32.26 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 98.9 m -48.6 138.87 11.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.0 Cg_endo -69.8 142.49 47.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' ALA . 38.3 t60 -38.38 -57.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.99 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -55.41 -55.6 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -37.62 -33.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mm -79.19 -53.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -57.2 -50.29 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.37 -66.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -45.32 -53.29 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.5 m -56.58 -45.43 81.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 37.5 mt-10 -60.81 -29.7 69.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.0 119.56 16.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 10.3 m-85 -111.92 171.42 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.45 -122.95 31.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -75.47 110.19 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.57 112.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.96 116.64 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.13 111.41 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -84.9 110.68 19.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -99.8 148.98 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.465 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.0 ttt -159.11 140.54 9.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 122.68 9.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.99 -46.17 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.78 -67.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' TYR . 35.0 m -50.73 -71.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' CE2' HG22 ' A' ' 52' ' ' ILE . 1.5 t80 -37.66 -64.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -44.98 -44.5 9.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.08 -31.48 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mt -75.09 -33.33 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.1 p -94.24 11.08 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.4 130.03 4.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.86 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -117.64 96.52 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 118.99 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.76 106.95 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -119.4 125.0 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.386 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -123.01 154.51 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.54 -113.78 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.3 t -79.47 124.21 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -79.71 117.43 20.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 11' ' ' ALA . 42.1 m -96.92 144.0 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.451 ' N ' HG21 ' A' ' 10' ' ' THR . . . -146.49 128.87 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 79' ' ' HIS . 22.6 mt -98.0 141.11 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD11 ' CG1' ' A' ' 45' ' ' ILE . 46.7 mm -116.67 135.67 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -100.76 104.45 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' CZ ' HD12 ' A' ' 22' ' ' LEU . 30.2 mtp180 -107.73 80.04 0.92 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.25 9.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.29 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 7.5 t-80 -161.48 142.63 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' ARG . . . -93.27 -52.48 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 24.6 mmm-85 -34.35 -38.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ALA . 2.5 pp20? -91.14 139.81 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.3 -174.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 mt -103.27 -43.58 5.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.78 -29.53 5.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 55.0 p90 -92.8 123.74 36.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.15 123.87 34.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.17 138.94 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -131.14 119.47 21.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 52.62 26.77 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.72 18.46 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -136.0 116.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 45' ' ' ILE . 27.1 mt -62.92 137.75 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' N ' HG21 ' A' ' 31' ' ' ILE . 2.0 t -115.14 -54.18 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -122.64 157.99 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -132.97 136.89 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 tp -66.46 142.6 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -83.0 127.44 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.78 47.67 73.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 -146.56 7.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.5 mt -95.1 -54.75 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ILE . . . -34.77 -57.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.32 -44.18 79.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 62.8 mtp85 -58.58 -51.76 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.23 -44.24 97.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.25 31.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 31' ' ' ILE . 33.3 mm -81.52 138.35 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -135.85 113.54 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.87 153.8 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.61 -35.24 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -73.34 152.83 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -107.24 136.73 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 52' ' ' ILE . 26.6 mm -79.14 137.34 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' HG21 ' A' ' 51' ' ' ILE . 44.2 pt -123.53 -20.32 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -151.74 153.03 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 HD11 ' C ' ' A' ' 54' ' ' ILE . 1.6 pp -153.11 137.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.2 m120 46.53 29.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.79 39.4 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -141.45 128.98 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.7 p -69.21 119.81 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 m -130.46 25.06 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.63 -33.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.25 -37.1 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 86.1 m -40.87 138.33 1.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.3 Cg_endo -69.81 145.39 56.74 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.521 ' CE1' ' CD1' ' A' ' 68' ' ' ILE . 39.0 t60 -44.66 -53.64 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.6 -54.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -66.52 -44.33 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 64' ' ' HIS . 21.0 mt -50.61 -43.35 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.521 ' CD1' ' CE1' ' A' ' 64' ' ' HIS . 29.5 mm -62.75 -49.54 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.93 -34.7 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.09 -67.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' O ' ' NH1' ' A' ' 15' ' ' ARG . 23.0 mt -41.46 -43.35 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.4 m -66.53 -46.64 75.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.78 -14.73 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.98 120.57 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.77 162.95 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.47 -121.13 9.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.48 114.74 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -123.7 104.77 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.507 ' CD2' HG12 ' A' ' 12' ' ' ILE . 6.3 m170 -76.22 101.55 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.6 mt -103.91 120.79 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -96.4 109.13 21.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 51' ' ' ILE . 17.9 p -96.29 145.39 25.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.4 ttt -155.26 136.02 8.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.41 -46.21 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 m -44.54 -58.37 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -46.83 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -45.43 -37.76 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.36 -31.73 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt -69.0 -43.4 74.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.5 p -89.04 23.45 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.98 115.92 8.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -115.45 110.64 19.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -91.78 124.28 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.31 -53.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -165.21 174.12 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -62.57 174.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.04 -45.77 5.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.44 141.86 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -77.36 106.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 m -98.16 121.98 40.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.74 137.14 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.55 136.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 39' ' ' ILE . 20.9 mm -115.13 146.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -109.12 100.23 9.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -113.92 91.09 20.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -35.1 13.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 3.8 t-80 -118.3 149.98 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.83 -31.42 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 73.1 mtt180 -83.93 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.06 135.94 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -50.81 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.46 -57.62 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.85 -40.28 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.3 140.98 31.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.44 124.82 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.55 129.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -127.25 110.17 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.99 32.79 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.86 17.54 74.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 96.2 mt -137.71 113.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 32' ' ' CYS . 10.9 mt -61.64 143.79 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' N ' HG23 ' A' ' 31' ' ' ILE . 7.8 t -121.97 -46.52 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -119.47 156.72 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.85 129.81 21.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.83 102.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -63.42 119.84 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.16 43.78 5.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.99 -142.51 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.453 ' CG2' HG23 ' A' ' 13' ' ' ILE . 27.4 mt -88.64 -51.65 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . . . -47.68 -67.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.03 -41.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -69.03 -36.23 77.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -68.78 -48.27 50.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.19 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 46' ' ' ARG . 26.1 mm -88.48 135.39 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' N ' HG21 ' A' ' 45' ' ' ILE . 13.1 mmt180 -126.42 119.73 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.19 145.47 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.46 -28.6 14.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.39 135.21 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HD3' ' CG1' ' A' ' 30' ' ' ILE . 5.6 tpp85 -89.16 134.62 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.53 141.94 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.0 pt -123.9 -24.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -154.86 139.04 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 54' ' ' ILE . 2.1 pp -133.33 133.04 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 45.61 33.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.33 42.91 33.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -145.39 118.49 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 124.48 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ALA . 34.9 m -118.77 -12.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -42.7 -24.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -116.77 -41.71 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 m -40.16 139.2 1.05 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.72 139.84 41.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -38.71 -51.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.11 -67.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.7 tpp85 -50.28 -54.0 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.2 mt -42.94 -42.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.52 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -41.86 71.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -61.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.47 -51.53 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.53 -48.38 81.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.6 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.4 mm-40 -57.05 -32.36 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.76 117.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.48 172.83 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.17 -117.33 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.53 119.05 16.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.86 97.91 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -80.81 115.43 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.07 113.94 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -86.99 105.94 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 p -97.22 146.13 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.472 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 13.4 ttt -151.9 139.25 12.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.691 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.73 114.84 3.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.18 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.8 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.9 m -50.88 -59.48 4.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.42 -59.54 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -49.67 -49.41 47.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.56 -40.0 77.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.36 -41.8 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -70.86 -31.46 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.45 -139.56 10.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.365 . . . . 0.0 110.963 -179.856 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -117.61 126.83 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 39.46 43.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 -118.5 0.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.1 p -172.86 148.07 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 36.7 p 36.0 37.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.28 -59.7 10.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t -97.66 140.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.5 m -99.66 132.33 45.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 11' ' ' ALA . 38.5 m -116.36 139.1 50.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' N ' HG21 ' A' ' 10' ' ' THR . . . -127.49 146.1 50.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.8 128.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 4.1 mm -112.11 159.68 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -116.38 102.58 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' CD ' HG23 ' A' ' 78' ' ' VAL . 6.0 mtp-105 -112.84 86.48 8.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.28 22.79 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -121.59 147.42 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.57 -34.86 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -83.32 26.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 61.9 mm-40 -121.78 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -60.61 173.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.85 -54.97 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.62 -37.69 2.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -92.21 132.73 36.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.6 t -97.95 130.73 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -107.51 138.64 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -136.64 105.25 5.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t0 71.85 27.33 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.71 68.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.75 123.59 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 32' ' ' CYS . 13.0 mt -66.01 141.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' N ' HG21 ' A' ' 31' ' ' ILE . 2.1 t -117.77 -58.63 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -111.74 157.65 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -134.37 132.89 39.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 34' ' ' LEU . 14.1 tp -67.42 146.37 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -83.26 145.75 28.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.97 44.98 19.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.68 -168.5 18.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mt -77.6 -40.54 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -55.05 -69.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ALA . 37.8 tt0 -36.79 -39.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -69.63 -48.23 60.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -56.29 -44.75 89.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.96 26.32 0.85 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 mm -78.22 133.13 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -128.22 118.22 22.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -53.02 166.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 -34.61 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -72.41 143.85 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -99.43 146.84 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -90.81 130.29 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.9 pt -113.92 -21.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -159.28 145.63 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.2 pp -141.43 128.43 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 m120 54.76 29.37 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.54 21.84 63.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.63 121.01 37.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 m -62.47 115.34 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.09 -13.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -45.35 -24.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.52 -33.52 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 83.7 m -49.59 139.22 15.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.81 141.41 44.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' PRO . 34.9 t60 -36.98 -51.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.89 -66.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ILE . 20.2 mmt-85 -52.4 -54.35 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ARG . 95.1 mt -38.07 -34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.95 -52.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.55 -48.53 79.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.6 mt -55.35 -63.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.2 -51.49 25.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.7 m -56.64 -47.61 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.1 mt-10 -55.75 -35.54 66.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 15' ' ' ARG . . . -56.77 120.87 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -110.21 170.22 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.43 -119.32 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -72.7 116.69 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG23 ' CD ' ' A' ' 15' ' ' ARG . 59.5 t -116.29 128.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -100.13 129.48 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -134.27 118.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -94.78 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 p -94.74 149.18 21.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -153.28 137.09 10.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.31 -41.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.85 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m -53.8 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -41.73 -67.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 mtm105 -48.11 -42.8 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.84 -36.04 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.36 -44.2 68.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.6 p -69.8 -23.04 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -115.64 -147.49 9.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.907 -179.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -83.82 126.42 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -54.45 -59.16 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.55 106.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -112.75 96.64 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -132.06 158.99 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.75 -80.11 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t -100.39 127.45 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.9 m -79.84 115.73 19.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.4 m -107.65 133.06 52.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.52 140.62 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -112.37 136.36 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.42 HG23 ' CG2' ' A' ' 39' ' ' ILE . 44.6 mm -112.16 140.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -108.53 101.47 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 75' ' ' TYR . 12.5 mtm105 -110.71 81.7 2.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.635 0.731 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -10.28 28.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.1 t-80 -136.68 148.11 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.42 -32.89 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 44.4 mtp85 -84.02 29.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 132.6 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.1 178.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.1 mt -107.56 -45.97 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 -43.47 1.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 22' ' ' LEU . 34.7 p90 -91.84 138.71 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.0 t -104.39 119.25 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -101.02 132.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -125.25 114.04 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 57.2 28.81 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.19 19.04 56.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.93 118.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 45' ' ' ILE . 10.1 mt -64.79 138.48 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.77 -47.63 2.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.38 151.89 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 2.6 tt -133.09 131.15 40.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -70.64 111.35 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -71.59 114.11 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.7 37.57 4.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.91 -137.56 4.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CG2' HG23 ' A' ' 13' ' ' ILE . 5.2 mt -96.72 -41.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -45.83 -41.66 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.18 86.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.59 29.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -87.61 141.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -132.45 122.54 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.2 158.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.78 -19.46 20.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -84.96 137.58 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -97.01 138.81 33.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.86 139.66 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -123.96 -15.72 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -162.58 146.64 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 54' ' ' ILE . 1.6 pp -144.19 124.92 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 m120 51.65 26.77 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.5 20.97 53.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -117.6 120.94 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -67.23 109.58 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -105.06 -1.45 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.2 -26.27 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.56 15.99 10.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 m -101.24 138.48 19.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 111.131 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.75 141.41 45.19 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ALA . 6.9 t60 -39.32 -55.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.89 -63.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -55.01 -48.48 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -47.16 -40.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.74 -34.12 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.57 -29.65 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.2 mt -77.8 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.52 -44.17 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -67.07 -41.21 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.89 -12.48 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.39 112.53 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.451 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 2.9 m-85 -106.29 167.95 9.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.43 -118.45 14.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.8 98.98 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.59 108.68 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.47 119.17 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.68 119.79 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -90.78 109.12 20.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -99.16 147.5 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.96 137.06 9.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.97 6.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.28 -42.89 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' TYR . 44.9 m -50.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . 3.1 t80 -38.12 -63.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -48.12 -42.9 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.08 -33.15 75.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.48 -30.08 52.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.3 p -91.99 18.36 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.94 172.68 16.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -126.77 87.3 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.8 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 p -134.44 118.47 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.87 131.55 2.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -64.88 130.96 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -144.64 136.51 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.84 -54.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -78.92 139.09 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.9 m -93.21 125.61 37.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -111.74 138.72 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.421 HD13 ' CG ' ' A' ' 79' ' ' HIS . 38.9 mm -114.47 139.85 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 45' ' ' ILE . 6.7 mm -117.7 160.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.403 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 19.6 m-70 -118.36 101.44 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -110.75 84.23 4.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -18.0 37.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.436 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 t-80 -126.42 154.22 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.41 -36.63 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -83.9 28.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.4 mm-40 -122.64 139.35 54.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -68.86 -177.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.7 mt -110.62 -36.76 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.26 -35.83 4.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 51.2 p90 -97.61 142.8 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.66 131.0 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.57 126.19 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -118.12 109.92 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 62.41 32.38 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.7 63.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.402 HD13 ' CG ' ' A' ' 50' ' ' ARG . 1.3 mt -137.03 114.36 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.79 138.73 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.81 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -108.19 156.78 18.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 4.1 tt -140.77 129.02 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.44 98.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -62.68 94.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.57 -28.74 4.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -148.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -87.51 -32.23 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 34' ' ' LEU . . . -55.34 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -45.7 -50.03 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.38 -33.33 72.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.09 -44.43 23.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.22 40.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 13' ' ' ILE . 33.5 mm -89.5 143.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 45' ' ' ILE . 23.5 mmt-85 -130.83 119.88 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 34' ' ' LEU . 33.4 m -68.15 158.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.49 84.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -92.18 171.1 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' CG ' HD13 ' A' ' 30' ' ' ILE . 14.1 mtt180 -119.38 141.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mm -89.55 118.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.0 pt -106.22 -28.36 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -149.61 151.9 34.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -148.22 144.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.4 ' CG ' HD11 ' A' ' 54' ' ' ILE . 0.7 OUTLIER 38.02 36.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.04 38.67 55.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' ILE . 18.9 mt-30 -139.0 123.09 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 111.19 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.73 10.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -44.47 -43.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.96 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 99.0 m -44.24 138.79 3.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.76 141.8 46.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.4 t60 -41.32 -55.37 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.81 -58.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.18 -50.93 71.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -44.59 -43.47 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG1' ' NE2' ' A' ' 64' ' ' HIS . 45.8 mm -60.91 -52.85 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.77 -38.62 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.64 -64.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -42.37 -42.68 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.2 m -70.92 -41.03 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.39 -12.6 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.05 117.17 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 4.5 m-85 -108.24 170.13 8.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.57 -112.85 2.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.25 91.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.13 102.39 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.421 ' CG ' HD13 ' A' ' 12' ' ' ILE . 6.6 m170 -79.04 137.88 37.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.9 mt -136.81 115.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -85.19 112.78 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -105.33 147.07 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.11 137.16 9.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.534 0.683 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.86 -41.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.55 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.1 m -40.1 -64.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -43.5 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -42.69 -41.72 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.4 -29.54 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' TYR . 26.4 mt -68.26 -46.06 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 t -99.53 23.7 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.89 125.19 27.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.864 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -171.59 120.74 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -66.69 -51.73 52.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -73.2 0.24 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -51.29 145.42 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -129.96 122.68 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.72 -53.15 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -123.87 143.37 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -91.68 126.23 36.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 11' ' ' ALA . 49.0 m -120.12 156.96 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 10' ' ' THR . . . -137.79 162.65 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mm -123.45 118.39 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' HB ' ' NH1' ' A' ' 15' ' ' ARG . 17.3 mm -102.67 144.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -114.45 103.03 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' NH1' ' HB ' ' A' ' 13' ' ' ILE . 37.5 mtt85 -107.19 84.59 1.73 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 -32.83 18.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -128.08 150.39 49.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.39 -31.34 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -83.26 26.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 6.1 mm-40 -122.16 131.5 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -49.58 174.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 17.2 mt -109.02 -61.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 124.24 -47.07 1.04 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.452 ' CZ ' HD12 ' A' ' 22' ' ' LEU . 42.8 p90 -85.81 135.73 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -103.6 125.18 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 27' ' ' GLU . 57.6 t -109.68 139.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.6 mm-40 -134.55 112.84 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.0 27.83 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.02 56.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -139.54 118.45 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.16 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 32' ' ' CYS . 14.9 mt -64.58 138.53 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' N ' HG22 ' A' ' 31' ' ' ILE . 12.3 m -116.18 -49.23 2.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -125.81 155.28 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 35' ' ' LEU . 2.5 tt -132.66 127.19 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HB3' ' CA ' ' A' ' 23' ' ' GLY . 9.2 tp -66.83 102.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.96 115.87 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.26 30.89 6.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.99 -151.25 8.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 6.8 mt -86.52 -57.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' ILE . . . -34.78 -62.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -43.57 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -54.7 -42.71 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.64 -43.69 98.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.1 28.39 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.2 mm -82.28 133.5 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -126.43 123.25 37.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.53 140.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.67 37.5 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -118.78 138.54 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -89.63 135.6 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 82' ' ' THR . 37.7 mm -82.13 132.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.89 -11.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -156.57 148.44 22.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -149.33 135.71 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 38.18 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 82.46 38.13 13.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.7 mm-40 -140.93 124.6 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.4 p -67.92 120.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.84 20.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.411 HG21 ' CE2' ' A' ' 88' ' ' TYR . 2.1 p -57.95 -28.29 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.98 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 94.3 m -43.56 139.01 2.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.73 158.13 58.05 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.3 t60 -52.98 -55.1 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.62 -59.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -61.56 -37.05 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.24 -30.94 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG1' ' NE2' ' A' ' 64' ' ' HIS . 28.3 mm -71.44 -47.63 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.33 -36.28 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.04 -68.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.47 -47.6 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.9 m -65.45 -39.84 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.1 mt-10 -60.55 -23.22 64.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.38 118.86 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -112.77 167.42 10.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.52 -124.34 8.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -80.53 110.37 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -117.59 129.24 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' CD1' ' A' ' 12' ' ' ILE . 11.0 m-70 -102.23 113.12 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.1 mt -112.4 121.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.12 107.93 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 51' ' ' ILE . 45.3 p -96.36 144.75 26.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -149.56 137.08 11.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 116.54 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -37.87 -38.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.23 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.4 m -41.64 -66.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE2' HG21 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -40.35 -62.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -47.26 -38.95 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.13 -29.34 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.75 -46.38 66.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -86.21 21.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.96 -129.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.919 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 p -60.63 127.26 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -58.68 126.78 29.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.25 117.25 1.97 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -66.94 101.49 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 p -56.19 -55.38 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.86 -92.42 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.9 139.5 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -87.97 112.48 22.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 m -103.91 137.71 41.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.68 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mt -111.57 141.39 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 HD13 ' CG1' ' A' ' 45' ' ' ILE . 24.4 mm -116.27 128.95 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -84.41 104.74 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -116.74 78.87 9.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.23 13.64 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.651 ' CE1' ' NH2' ' A' ' 19' ' ' ARG . 8.0 t-80 -157.37 157.99 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -90.82 -61.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' A' ' 17' ' ' HIS . 25.2 mtm105 -34.79 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 18' ' ' ALA . 52.4 mm-40 -77.51 136.56 38.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -72.88 -174.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 6.2 mt -106.33 -56.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.34 -32.96 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 50.8 p90 -95.49 140.71 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -107.83 127.47 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -103.33 129.65 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -120.7 110.88 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.76 27.41 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.44 20.07 52.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 HG12 ' CG ' ' A' ' 50' ' ' ARG . 36.8 mt -142.04 118.68 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' CYS . 20.2 mt -57.94 142.39 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' ILE . 6.9 t -120.31 -57.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.2 p -121.04 149.87 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 4.5 tt -124.86 137.2 54.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 tp -71.16 114.19 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -77.63 100.01 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.87 40.49 0.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.96 -144.77 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.2 mt -87.63 -47.97 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . . . -39.85 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.35 -47.42 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -59.13 -34.1 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.97 -44.97 17.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.74 22.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' O ' ' CD1' ' A' ' 34' ' ' LEU . 32.5 mm -70.14 129.23 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -125.55 110.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.3 m -54.11 164.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.92 -31.86 5.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.78 153.36 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.8 tmm_? -108.27 128.53 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 82' ' ' THR . 28.8 mm -67.66 135.06 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.75 -21.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -153.98 158.1 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 54' ' ' ILE . 2.0 pp -150.54 129.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 m120 45.7 32.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.93 28.68 40.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.72 126.13 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -70.94 118.88 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 20.4 m -109.21 -20.0 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' VAL . 2.5 p -35.86 -31.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -107.88 -25.47 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 63' ' ' PRO . 98.4 m -56.83 138.97 78.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.578 0.704 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.71 139.91 41.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' ALA . 35.5 t60 -38.24 -59.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.83 -60.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -56.51 -48.05 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.0 mt -46.36 -48.04 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.52 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.81 -42.06 97.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.09 -68.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt -41.74 -38.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.8 m -72.77 -46.89 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 8.4 mt-10 -61.64 -27.57 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.87 114.48 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 5.8 m-85 -107.43 168.88 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.16 -127.64 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -74.68 109.13 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 103.79 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -80.63 102.56 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 97.6 mt -102.24 113.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -87.08 106.11 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 51' ' ' ILE . 20.0 p -97.78 131.83 43.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.64 137.12 22.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.228 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.31 -42.25 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.97 -66.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -47.74 -63.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -42.39 -62.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -47.99 -40.14 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.12 -21.98 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.3 mt -77.71 -41.4 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.1 p -78.9 2.54 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.35 143.05 20.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -84.6 129.4 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -120.39 125.57 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.6 155.73 29.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -124.43 116.67 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG23 ' CG2' ' A' ' 39' ' ' ILE . 25.1 mm -94.48 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -102.12 100.16 10.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HD2' HD21 ' A' ' 22' ' ' LEU . 58.4 mtp180 -107.58 82.81 1.39 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.92 29.19 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -125.86 154.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 -32.39 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mtt85 -83.97 29.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.3 mm-40 -118.63 140.84 49.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.06 -179.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.9 mt -109.87 -39.27 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.48 -46.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.844 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.6 p90 -88.77 132.2 34.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 t -99.99 122.1 42.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -103.36 137.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -132.27 113.42 13.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.44 33.17 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.82 17.49 72.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.53 118.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.707 HD13 HG23 ' A' ' 45' ' ' ILE . 14.8 mt -62.61 139.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 1.8 t -118.97 -59.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -112.83 157.09 21.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.1 tt -134.82 132.58 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 120.69 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -66.95 127.45 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.22 47.51 44.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.3 -146.0 6.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 13' ' ' ILE . 17.0 mt -92.62 -52.68 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.91 -60.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -50.6 -42.17 55.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ILE . 84.3 mtt180 -64.55 -50.92 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.94 73.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 30.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.707 HG23 HD13 ' A' ' 31' ' ' ILE . 29.9 mm -87.85 132.15 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.12 123.24 22.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 20.6 m -53.23 154.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.97 -32.53 6.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.1 142.63 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -98.33 151.39 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.04 132.47 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.407 HD13 ' SD ' ' A' ' 83' ' ' MET . 30.8 pt -123.4 -15.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -161.37 147.59 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 54' ' ' ILE . 2.0 pp -147.39 140.61 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 54' ' ' ILE . 35.4 m120 43.05 30.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.82 39.48 24.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -64.5 115.37 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.16 14.4 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.31 -36.59 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.12 18.87 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 75.9 m -97.19 138.42 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.82 133.98 26.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.749 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.7 t60 -36.22 -54.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.63 -58.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.07 -50.97 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 64' ' ' HIS . 72.9 mt -42.53 -41.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.749 HD11 ' CE1' ' A' ' 64' ' ' HIS . 25.1 mm -64.69 -46.63 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.29 -35.56 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 54' ' ' ILE . 18.6 mt -70.02 -67.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HG12 ' A' ' 80' ' ' ILE . 13.1 mt -42.73 -44.44 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -59.83 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.71 -29.51 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 113.32 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.95 168.18 10.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.86 -111.41 4.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -82.66 96.46 8.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.47 124.54 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -101.67 107.77 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.491 HG12 HD21 ' A' ' 71' ' ' LEU . 35.3 mt -109.04 114.01 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -89.08 108.17 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -98.95 149.97 22.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.565 ' HE3' HG22 ' A' ' 8' ' ' VAL . 12.2 ttt -155.88 139.56 11.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.77 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.76 -41.45 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.661 HG22 HD11 ' A' ' 91' ' ' LEU . 4.1 m -54.52 -58.83 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.0 t80 -42.67 -61.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -55.55 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.44 -37.8 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.92 0.39 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.7 m -92.62 119.22 31.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 m -102.61 146.56 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.89 37.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -123.98 136.18 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 40' ' ' ALA . 10.7 mm -116.86 147.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.51 ' O ' HG21 ' A' ' 39' ' ' ILE . 13.6 m-70 -104.1 101.83 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 9.3 mtp-105 -117.5 81.79 14.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -21.64 33.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -121.81 145.03 48.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 -36.46 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -83.97 29.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 54.7 mm-40 -119.48 131.84 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -45.54 171.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt -103.58 -47.36 4.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.44 -43.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE1' HD22 ' A' ' 22' ' ' LEU . 28.9 p90 -97.62 141.68 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.81 124.26 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -109.23 127.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.13 114.95 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.6 25.68 15.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.89 21.27 47.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 49' ' ' HIS . 54.6 mt -139.49 115.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 51' ' ' ILE . 13.3 mt -60.99 142.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 50.4 t -124.4 -48.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 t -122.71 155.59 36.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -134.7 136.02 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.2 tp -67.61 116.45 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -72.18 106.52 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.83 43.01 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.63 -146.4 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.7 mt -88.92 -48.63 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.0 -63.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -41.45 -50.36 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -65.84 -35.05 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.66 -46.53 83.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.53 27.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.618 ' CG1' HD11 ' A' ' 13' ' ' ILE . 49.8 mm -81.14 142.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -133.99 117.06 16.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 m -61.95 150.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.55 -11.83 59.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 30' ' ' ILE . 7.1 m170 -93.67 165.07 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.38 134.8 53.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 31' ' ' ILE . 34.1 mm -81.47 107.63 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.69 -26.08 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -149.45 156.58 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.484 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 pp -148.74 136.57 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ILE . 73.1 m-20 36.96 37.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.54 48.21 14.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -150.28 118.46 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -65.7 115.47 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.67 -0.27 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -23.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.21 -30.39 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 63' ' ' PRO . 78.0 m -54.32 138.01 58.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.8 146.09 58.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.716 ' CE1' HD11 ' A' ' 68' ' ' ILE . 4.5 t60 -46.16 -55.66 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.16 -63.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.13 -52.03 67.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 64' ' ' HIS . 64.0 mt -42.3 -39.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 64' ' ' HIS . 33.8 mm -64.71 -38.15 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.3 mm-40 -67.72 -39.52 84.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 66' ' ' ARG . 36.2 mt -66.12 -68.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -40.93 -52.73 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.0 m -61.32 -44.08 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 mm-40 -57.31 -31.75 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.15 121.35 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.46 171.8 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -115.72 4.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 9.9 tt0 -72.34 110.32 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' HD3' ' A' ' 15' ' ' ARG . 87.3 t -113.26 100.37 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 11.4 m170 -77.95 138.65 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -140.39 120.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -94.08 107.34 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 132.36 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.479 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.8 ttt -142.52 139.57 17.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.4 Cg_endo -69.78 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.4 -34.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -58.11 -66.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 91' ' ' LEU . 8.1 m -53.21 -60.85 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.883 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.6 t80 -42.9 -58.42 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -51.61 -50.18 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.58 -36.25 73.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -81.02 103.75 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -92.69 130.05 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.81 146.35 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -118.55 134.79 61.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 HD11 ' CG1' ' A' ' 45' ' ' ILE . 47.1 mm -108.87 135.51 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.568 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.6 m-70 -97.07 102.23 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' HD21 ' A' ' 22' ' ' LEU . 55.3 mtp180 -111.45 81.4 3.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.86 27.07 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -122.54 148.3 45.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.8 -36.76 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -83.91 29.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 36.3 mm-40 -116.93 128.27 55.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -48.89 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.7 mt -104.76 -60.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.54 -42.52 1.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 50.2 p90 -91.23 132.8 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -97.45 121.08 38.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -103.17 139.9 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -135.93 122.31 20.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.87 25.67 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.33 18.75 56.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 70.2 mt -138.27 121.51 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 HG12 ' A' ' 47' ' ' VAL . 25.3 mt -62.45 136.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.6 -58.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -110.73 155.27 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.4 tt -135.63 129.7 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -66.81 137.84 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -80.26 137.93 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.21 44.27 96.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.54 -164.31 13.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.0 mt -80.06 -39.86 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -51.83 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -42.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -69.87 -35.95 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -70.85 -41.54 62.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.55 35.16 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG1' HD11 ' A' ' 13' ' ' ILE . 11.7 mm -92.65 137.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -134.04 115.11 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 31' ' ' ILE . 26.7 m -54.96 151.31 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.51 -20.39 49.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -84.16 133.47 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' MET . 11.8 tpt180 -85.91 130.53 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CD1' HG22 ' A' ' 82' ' ' THR . 20.3 mm -78.27 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.2 -12.87 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.06 148.08 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.5 pp -146.48 132.86 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.713 ' ND2' HG13 ' A' ' 78' ' ' VAL . 35.1 m120 49.49 28.45 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.77 39.97 16.0 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -142.7 126.49 17.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -67.33 115.07 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -106.77 -5.45 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.35 -29.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 24.83 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.055 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.7 m -117.99 139.19 26.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 148.82 65.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.803 ' CE1' HD11 ' A' ' 68' ' ' ILE . 32.4 t60 -45.66 -54.75 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -56.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 6.9 tpt180 -64.94 -49.17 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 64' ' ' HIS . 83.3 mt -45.05 -43.69 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.803 HD11 ' CE1' ' A' ' 64' ' ' HIS . 37.5 mm -65.73 -45.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.89 -41.97 92.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.682 ' HB3' HD11 ' A' ' 54' ' ' ILE . 30.1 mt -65.49 -66.22 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 80' ' ' ILE . 12.7 mt -43.02 -48.56 6.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.2 m -61.84 -45.69 92.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.4 mt-10 -55.52 -31.47 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.82 123.02 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 54.9 m-85 -120.56 165.95 14.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.65 -106.33 1.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -95.37 100.39 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG13 ' ND2' ' A' ' 55' ' ' ASN . 85.8 t -104.65 117.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -90.27 102.98 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG12 HD21 ' A' ' 71' ' ' LEU . 90.5 mt -103.51 111.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -86.28 106.69 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CD1' ' A' ' 51' ' ' ILE . 64.4 p -98.16 150.9 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' ARG . 1.1 tpt -156.01 137.03 9.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.52 4.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.7 -33.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -65.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 m -57.45 -57.52 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -45.84 -56.13 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.97 -45.59 74.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.11 -32.25 73.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 88' ' ' TYR . 41.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.933 0.397 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.1 m -86.21 124.83 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -110.8 142.53 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.57 155.42 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mm -127.7 116.17 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 17.5 mm -100.6 132.21 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -95.55 100.14 11.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HD2' HD21 ' A' ' 22' ' ' LEU . 43.4 mtp180 -107.37 83.93 1.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.44 24.15 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -124.6 139.88 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.94 -30.98 31.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 14.6 mtp180 -83.75 29.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 5.6 mm-40 -120.19 137.46 54.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -56.75 173.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.885 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.7 mt -105.28 -57.64 2.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.01 -38.74 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.885 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.5 p90 -93.28 122.64 35.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -86.76 133.59 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.71 144.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.38 122.18 12.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 56.66 27.03 11.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.15 22.64 54.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 50' ' ' ARG . 74.7 mt -139.17 121.17 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.72 HG22 HG12 ' A' ' 47' ' ' VAL . 31.8 mt -67.87 143.38 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.0 t -117.37 -60.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -116.71 161.98 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.861 HD21 ' HB3' ' A' ' 40' ' ' ALA . 4.0 tt -135.42 131.92 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.8 tp -69.92 100.05 1.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -60.01 123.27 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.67 29.7 10.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.31 -140.08 5.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 13' ' ' ILE . 8.8 mt -95.65 -50.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.861 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.84 -59.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.04 -44.65 67.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -59.61 -54.49 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.44 96.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.46 31.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.577 ' HB ' ' HB1' ' A' ' 40' ' ' ALA . 43.6 mm -73.97 130.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -123.11 112.89 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.72 HG12 HG22 ' A' ' 31' ' ' ILE . 28.9 m -55.48 151.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.86 -26.87 12.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -74.92 131.25 40.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 30' ' ' ILE . 4.6 tpp85 -84.29 133.19 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.62 142.93 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.2 pt -126.13 -28.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -153.98 131.24 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.502 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.5 pp -123.85 144.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ILE . 67.8 m-80 37.37 29.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.86 42.54 12.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ILE . 21.1 mm-40 -145.66 130.13 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.8 p -64.66 123.21 18.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG12 ' A' ' 54' ' ' ILE . 30.0 m -121.38 -12.64 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -44.9 -24.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.05 -34.94 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.9 m -48.11 139.18 10.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.78 134.45 27.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.635 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -36.11 -53.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.51 -51.58 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -69.71 -46.88 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.16 -42.37 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 64' ' ' HIS . 11.2 mm -67.27 -40.42 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.19 -44.33 92.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.24 -67.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -41.74 -44.92 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.6 m -65.25 -50.59 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 5.3 mm-40 -56.57 -34.87 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.33 126.51 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.9 m-85 -114.51 172.2 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.4 -121.48 14.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.425 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 131.9 43.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 80' ' ' ILE . 94.4 t -129.44 103.98 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -82.75 103.55 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.598 HG13 HG12 ' A' ' 78' ' ' VAL . 85.7 mt -109.26 110.47 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -86.8 106.07 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -97.54 135.94 38.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.649 ' HE3' HG22 ' A' ' 8' ' ' VAL . 9.1 ttt -139.8 140.13 23.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.2 Cg_endo -69.71 114.69 3.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.07 -42.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.07 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.647 HG22 HD11 ' A' ' 91' ' ' LEU . 48.1 m -53.89 -64.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.1 t80 -37.57 -61.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -50.72 -47.67 59.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.66 -39.43 77.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 88' ' ' TYR . 7.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 m -82.39 123.87 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.1 m -116.52 128.8 55.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.39 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt -119.74 140.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 40' ' ' ALA . 4.1 mm -118.44 150.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.515 ' O ' HG21 ' A' ' 39' ' ' ILE . 38.2 m-70 -103.62 101.27 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.579 ' NH1' HG21 ' A' ' 13' ' ' ILE . 37.2 mtt-85 -115.04 83.38 9.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -19.64 35.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -127.66 137.49 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.62 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 43.2 mtp85 -84.0 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 4.5 mm-40 -117.87 146.92 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -52.99 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 15.0 mt -117.32 -51.25 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.11 -43.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 36.9 p90 -93.05 123.03 36.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -84.66 120.78 26.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 31' ' ' ILE . 84.6 t -107.51 128.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -119.5 112.26 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.25 29.36 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.97 58.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -134.03 113.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 51' ' ' ILE . 18.2 mt -64.74 130.27 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 39.2 t -109.74 -51.23 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -120.42 161.1 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' NH2' ' A' ' 46' ' ' ARG . 2.5 tt -137.18 135.75 37.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 34' ' ' LEU . 5.8 tp -68.99 116.16 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -74.01 110.32 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.21 36.83 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -121.22 -149.3 8.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.515 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.3 mt -89.64 -46.7 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.59 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.38 -45.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -72.42 -36.17 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -64.37 -48.03 78.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.78 32.99 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.67 ' CG1' HD11 ' A' ' 13' ' ' ILE . 28.0 mm -94.02 132.73 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.58 ' NH2' HD13 ' A' ' 34' ' ' LEU . 8.0 mmp_? -130.38 124.78 32.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.8 162.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.87 -34.48 4.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -78.97 134.13 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 9.7 ttm180 -89.54 143.35 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 31' ' ' ILE . 35.0 mm -82.37 131.86 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 pt -122.49 -12.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.23 135.53 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -137.75 145.99 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.655 HD21 HG13 ' A' ' 78' ' ' VAL . 12.9 m120 38.25 34.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.73 42.52 53.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . 8.7 mt-30 -143.68 121.38 11.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -63.7 113.14 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.49 10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.65 -25.74 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 -37.86 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 63' ' ' PRO . 96.7 m -37.8 139.06 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.69 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.766 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.3 t60 -40.34 -57.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.73 -56.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -62.69 -47.03 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 64' ' ' HIS . 86.1 mt -46.31 -44.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 64' ' ' HIS . 20.8 mm -62.22 -42.72 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.29 -38.15 85.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 54' ' ' ILE . 48.2 mt -69.91 -66.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -42.62 -41.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.9 m -64.95 -48.68 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 51.8 mm-40 -57.02 -34.55 68.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 55' ' ' ASN . . . -62.7 114.54 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.39 164.04 12.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.55 -110.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.03 124.24 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 55' ' ' ASN . 55.2 t -125.76 104.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.1 109.45 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.506 HG13 HG12 ' A' ' 78' ' ' VAL . 94.9 mt -112.38 114.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -89.55 106.31 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -96.13 146.13 24.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.3 tpt -146.56 136.27 11.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 122.04 8.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 89' ' ' ARG . . . -45.35 -39.07 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.6 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 91' ' ' LEU . 32.8 m -52.09 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.744 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -44.01 -57.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 15.2 mmm180 -48.51 -47.04 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG22 ' CE ' ' A' ' 83' ' ' MET . 51.9 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -81.12 118.2 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 m -104.88 125.41 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.07 149.08 48.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.07 134.67 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 45' ' ' ILE . 4.9 mm -114.56 152.08 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.528 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.2 m-70 -110.71 105.05 13.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 12.5 mtp-105 -116.5 87.57 21.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.19 12.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.222 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -115.7 149.55 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.78 18.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 98.0 mtt180 -83.94 29.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 9.5 mm-40 -122.16 126.25 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -45.39 169.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 24' ' ' PHE . 5.6 mt -99.9 -46.86 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.97 -44.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.0 p90 -90.63 133.05 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -95.71 119.0 33.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 31' ' ' ILE . 55.6 t -109.61 136.39 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -129.58 110.8 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.33 29.3 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.03 23.43 49.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.09 116.23 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 47' ' ' VAL . 11.8 mt -68.74 142.93 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.91 -47.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -118.11 161.96 18.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tt -142.52 131.76 23.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.34 109.18 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -68.18 105.16 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.44 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.76 -148.56 7.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.6 mt -88.91 -42.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.07 -68.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' ALA . 30.7 tt0 -36.66 -49.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -66.79 -37.9 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.82 -47.82 82.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.8 27.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 13' ' ' ILE . 37.4 mm -81.12 142.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -136.42 113.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG12 HG22 ' A' ' 31' ' ' ILE . 35.7 m -54.5 160.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.57 -12.31 56.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.49 133.19 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -85.14 142.43 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.503 ' CD1' HG22 ' A' ' 82' ' ' THR . 49.5 mm -86.91 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 pt -123.57 -15.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 81' ' ' LYS . 29.4 tt0 -155.04 144.24 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.3 pp -145.1 142.14 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' ILE . 69.4 m-80 36.75 38.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.74 49.87 27.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -149.13 124.5 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -67.87 102.79 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.37 11.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.847 HG21 ' OH ' ' A' ' 88' ' ' TYR . 12.4 p -52.67 -26.65 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.79 -33.83 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.646 HG23 ' HD2' ' A' ' 63' ' ' PRO . 97.1 m -44.71 138.76 3.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.78 138.63 38.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.789 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.6 t60 -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -37.71 -53.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.19 -42.11 84.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 64' ' ' HIS . 75.0 mt -50.43 -41.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.789 HD11 ' CE1' ' A' ' 64' ' ' HIS . 50.1 mm -64.92 -44.92 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.21 -41.5 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.34 -66.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 67' ' ' ILE . 9.4 mt -43.9 -53.07 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.3 m -59.62 -45.72 91.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 6.7 mm-40 -64.72 -17.97 64.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.59 113.61 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.14 167.86 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.51 -118.63 14.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 32.8 tt0 -78.54 119.9 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.7 99.97 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 51.9 m-70 -80.08 104.33 10.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.1 mt -108.18 122.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' A' ' 8' ' ' VAL . 17.7 tttt -98.52 106.11 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 51' ' ' ILE . 58.2 p -97.37 153.17 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.6 ttt -153.26 140.0 12.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.78 121.04 7.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.25 -40.05 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.93 -65.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 91' ' ' LEU . 23.8 m -51.0 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.884 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -38.31 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -52.05 -42.05 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.35 -31.48 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 88' ' ' TYR . 6.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 52' ' ' ILE . 76.9 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -85.04 128.96 34.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -112.01 131.26 55.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.75 126.34 36.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mt -105.63 134.64 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.727 HD11 ' CG1' ' A' ' 45' ' ' ILE . 34.4 mm -111.62 154.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.504 ' O ' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -107.81 100.12 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -111.05 80.42 2.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.91 33.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -151.4 144.77 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.47 -59.79 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 22.7 mmm180 -34.4 -32.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 8.5 mm-40 -80.86 131.88 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -67.02 -174.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.615 HD22 ' HE1' ' A' ' 24' ' ' PHE . 4.9 mt -104.55 -42.34 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.87 -41.22 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' HE1' HD22 ' A' ' 22' ' ' LEU . 38.8 p90 -87.41 134.29 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.76 127.59 48.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.32 128.88 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -125.61 102.99 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' CE1' ' A' ' 64' ' ' HIS . 3.2 t70 74.14 36.75 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.36 18.08 79.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -139.79 119.92 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 HG12 ' A' ' 47' ' ' VAL . 17.8 mt -61.68 138.86 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.39 -64.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -111.69 157.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -129.14 132.49 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -68.78 132.02 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 17.8 ttp-105 -78.18 149.33 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.87 39.24 47.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.17 8.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.0 mt -95.89 -43.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -49.54 -65.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.32 -50.76 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -61.54 -39.34 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.6 -48.06 71.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.73 8.45 3.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' HD11 ' A' ' 13' ' ' ILE . 18.4 mm -56.73 132.57 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -125.46 116.36 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 31' ' ' ILE . 31.1 m -56.8 168.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.01 -38.08 2.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -73.04 137.18 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -90.4 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.66 HG22 HG21 ' A' ' 59' ' ' VAL . 41.6 mm -80.77 133.83 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.7 HD13 ' SD ' ' A' ' 83' ' ' MET . 17.7 pt -117.14 -26.04 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -145.16 157.11 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.721 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -153.18 128.32 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.403 HD21 ' CD1' ' A' ' 54' ' ' ILE . 12.1 m-80 43.04 34.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.91 41.37 23.16 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.53 134.69 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -71.75 114.48 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.66 HG21 HG22 ' A' ' 51' ' ' ILE . 34.6 m -107.51 -12.26 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.61 -23.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.85 -29.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.661 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.4 m -49.15 139.07 13.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 133.44 25.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' ' H ' ' A' ' 28' ' ' ASP . 23.6 t60 -34.73 -49.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.14 -69.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.6 tpp85 -49.01 -51.54 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 64' ' ' HIS . 94.8 mt -41.27 -39.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.32 -45.93 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.83 -38.86 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.44 -70.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 mt -39.1 -47.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -62.74 -49.57 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.574 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 44.2 mt-10 -57.57 -36.27 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 113.92 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 8.6 m-85 -109.36 161.25 15.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.98 -122.65 10.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.06 104.26 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.34 99.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.91 105.64 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.1 mt -105.6 116.99 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -89.61 109.06 20.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.7 p -99.03 148.67 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.7 ' SD ' HD13 ' A' ' 52' ' ' ILE . 12.0 ttt -156.64 139.82 11.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.83 -41.27 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.86 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -47.73 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.918 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.0 t80 -41.58 -61.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -46.8 -55.46 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.73 -36.75 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HE3' ' A' ' 83' ' ' MET . 96.6 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 m -83.55 117.94 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 m -103.21 134.74 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.47 148.56 51.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.91 126.42 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.537 HD11 ' CG1' ' A' ' 45' ' ' ILE . 20.8 mm -105.65 157.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 39' ' ' ILE . 7.9 m80 -125.31 106.35 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.69 92.49 33.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.93 37.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.402 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.451 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -136.83 147.12 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.3 -32.05 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 27.6 mtt-85 -83.99 29.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 40.1 mm-40 -124.04 136.68 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -50.0 171.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.784 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.5 mt -107.63 -46.7 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.29 -46.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.784 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 40.4 p90 -87.41 134.66 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.4 m -102.07 122.69 44.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.23 135.23 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -126.9 116.71 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.54 25.38 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.87 20.65 42.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.6 mt -138.91 114.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' ILE . 12.9 mt -61.68 138.99 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -121.64 -46.57 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -122.69 156.66 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 40' ' ' ALA . 1.3 tt -137.98 127.83 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.55 94.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 -13.72 27.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -81.57 -142.98 3.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.2 mt -89.46 -40.46 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 111.091 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.869 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -52.12 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 5.6 tm-20 -46.88 -43.03 18.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.38 -22.22 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.64 -46.88 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.03 19.98 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.537 ' CG1' HD11 ' A' ' 13' ' ' ILE . 17.5 mm -74.79 143.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -129.4 130.48 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.45 162.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.92 -16.84 13.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -87.28 144.88 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -100.93 141.66 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.854 HG22 HG21 ' A' ' 59' ' ' VAL . 23.7 mm -82.83 133.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.557 ' C ' HG22 ' A' ' 59' ' ' VAL . 44.7 pt -121.25 -13.32 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' N ' HG22 ' A' ' 59' ' ' VAL . 11.4 tt0 -159.37 150.19 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.635 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -149.0 133.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 54' ' ' ILE . 76.0 m-20 42.77 33.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.38 32.79 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ILE . 34.1 mt-30 -133.96 121.76 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -60.81 116.79 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.854 HG21 HG22 ' A' ' 51' ' ' ILE . 35.3 m -108.51 -5.43 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 p -51.69 -22.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.87 -28.97 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.668 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.5 m -47.88 139.15 9.47 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.541 0.686 . . . . 0.0 111.204 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 140.46 42.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.516 ' HA ' HD12 ' A' ' 67' ' ' ILE . 23.7 t60 -35.92 -53.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.3 -66.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -48.09 -57.18 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 64' ' ' HIS . 84.7 mt -40.04 -37.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -75.7 -53.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.85 -57.66 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.3 mt -47.05 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -44.78 -66.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -44.76 -46.67 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 44.5 mt-10 -58.24 -33.22 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.15 117.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.495 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -103.23 171.01 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.74 -121.89 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.33 129.67 38.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.599 HG21 ' NE ' ' A' ' 15' ' ' ARG . 54.2 t -133.43 105.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.41 114.49 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.1 mt -116.54 110.56 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -85.2 106.82 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 p -96.49 145.7 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 52' ' ' ILE . 9.6 ttt -153.44 140.07 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.22 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.53 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' LEU . 8.8 m -53.61 -68.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.959 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 t80 -37.82 -53.5 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -57.56 -40.28 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' THR . 15.0 mt -68.46 -26.94 65.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.959 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -79.63 115.39 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -108.34 141.49 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.73 143.46 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 79' ' ' HIS . 14.4 mm -116.8 128.55 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 18.1 mm -104.83 153.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' ILE . 25.1 m-70 -113.92 102.49 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.794 ' HD3' HD21 ' A' ' 22' ' ' LEU . 9.6 mtm180 -110.0 81.18 2.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.71 29.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -156.01 142.63 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.75 -57.42 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 27.8 mmt180 -34.75 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.7 mm-40 -80.91 142.71 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -71.87 -174.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 15' ' ' ARG . 6.4 mt -107.56 -46.44 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 119.55 -46.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 22' ' ' LEU . 41.0 p90 -85.91 144.73 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -113.8 125.34 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.61 136.04 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.53 113.71 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.62 28.33 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.71 17.7 57.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -140.06 119.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 47' ' ' VAL . 24.2 mt -59.27 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.05 -62.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t -116.54 155.61 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.8 tt -128.42 131.97 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.633 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.8 tp -70.08 112.16 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -66.98 123.46 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.08 9.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.71 -150.42 8.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -89.66 -38.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.753 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -50.83 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -46.97 -39.4 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -68.0 -43.57 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.88 95.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.02 28.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.583 HG23 HD13 ' A' ' 31' ' ' ILE . 16.7 mm -83.39 138.89 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -136.61 127.95 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.588 HG12 HG22 ' A' ' 31' ' ' ILE . 14.2 m -59.58 170.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -31.81 3.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -79.2 142.27 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -96.32 154.1 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -90.83 135.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.33 -20.2 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -155.94 153.35 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -150.0 135.09 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' ILE . 24.7 m120 37.15 33.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 80.24 38.56 18.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' ILE . 12.4 mm-40 -140.74 122.78 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -71.82 114.86 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.25 6.88 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.6 -20.73 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.12 -21.42 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.7 m -68.59 139.19 91.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.5 Cg_endo -69.77 139.65 40.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.831 ' HA ' HD12 ' A' ' 67' ' ' ILE . 73.0 t60 -42.7 -52.35 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -54.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -43.14 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.4 mt -47.18 -35.67 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.536 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -67.79 -39.47 81.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.9 mt -69.04 -67.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.26 -46.68 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -68.46 -35.59 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 mm-40 -66.23 -18.3 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.63 116.59 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.47 167.78 9.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.66 -119.24 16.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.44 118.38 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.49 111.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.558 ' HA ' HD13 ' A' ' 12' ' ' ILE . 13.5 m-70 -89.91 101.86 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mt -103.89 126.36 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.82 106.07 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -98.76 150.33 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 7.9 ttt -159.19 139.76 9.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.74 115.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.85 -38.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 91' ' ' LEU . 85.6 m -52.1 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.821 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.6 t80 -37.91 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -48.52 -44.99 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.75 -28.15 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.848 HD11 HG22 ' A' ' 87' ' ' THR . 9.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -97.0 139.61 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -124.14 146.53 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.36 140.26 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mm -113.16 145.15 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 45' ' ' ILE . 7.1 mm -120.97 153.79 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' O ' HG21 ' A' ' 39' ' ' ILE . 1.3 m80 -108.37 100.5 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.742 ' HD3' HG21 ' A' ' 78' ' ' VAL . 8.0 mtp-105 -115.5 86.71 15.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.85 32.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.404 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -127.9 139.07 52.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.04 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mtp180 -84.01 29.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 23.8 mm-40 -120.72 135.48 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -47.77 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 24' ' ' PHE . 8.2 mt -107.13 -47.16 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.43 -45.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.6 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.9 p90 -89.73 122.72 33.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -82.08 121.42 26.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.03 135.21 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -125.82 120.43 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.78 27.07 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.04 46.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.27 116.27 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.537 HG22 HG12 ' A' ' 47' ' ' VAL . 18.3 mt -62.89 140.39 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -124.01 -46.29 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -125.31 161.09 27.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.0 tt -135.08 136.56 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.7 tp -69.93 112.8 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -55.18 136.86 48.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.94 52.85 36.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.05 -153.77 9.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.9 mt -85.31 -47.19 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.63 -62.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.76 -42.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -74.03 -36.09 64.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -67.67 -45.8 73.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.78 28.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 13' ' ' ILE . 18.7 mm -80.43 134.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -128.8 116.22 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 31' ' ' ILE . 32.2 m -57.38 155.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.8 -35.93 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -77.68 140.58 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 7.6 ttm180 -90.44 145.61 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 48.6 mm -86.73 120.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.9 pt -107.45 -24.73 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -147.4 148.71 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -147.0 136.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' A' ' 74' ' ' ALA . 73.9 m-80 42.45 40.92 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.05 43.01 74.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -140.95 124.45 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -71.0 110.3 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.77 36.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 3.9 p -67.81 -22.04 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' THR . . . -116.9 -40.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.7 m -34.21 137.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.74 140.49 42.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.605 ' NE2' HD11 ' A' ' 68' ' ' ILE . 1.8 t60 -39.45 -54.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -37.94 -53.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.45 -47.51 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.95 -41.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' NE2' ' A' ' 64' ' ' HIS . 5.2 mm -62.69 -51.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.7 -33.7 48.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HB3' HD11 ' A' ' 54' ' ' ILE . 25.1 mt -69.46 -60.87 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.08 -47.18 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -55.6 -41.2 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.51 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 7.8 mt-10 -62.39 -24.56 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . . . -76.04 134.86 39.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 4.1 m-85 -120.02 168.95 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' ARG . . . 42.95 -107.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -72.82 106.84 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.742 HG21 ' HD3' ' A' ' 15' ' ' ARG . 63.9 t -111.02 102.3 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.66 142.55 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.3 mt -147.0 112.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.57 109.34 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 p -95.08 143.39 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.43 137.12 10.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.82 -44.0 38.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.17 -66.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.658 HG22 HD11 ' A' ' 91' ' ' LEU . 64.2 m -45.88 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.981 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -41.14 -61.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -48.68 -41.96 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.82 -21.36 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.981 HD12 ' HA ' ' A' ' 88' ' ' TYR . 17.2 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.94 0.4 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -81.11 114.73 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -107.53 142.85 36.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . -143.1 148.48 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -123.14 130.77 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.8 mm -111.24 159.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -126.34 101.23 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.943 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -111.92 88.94 10.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.77 31.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.282 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -123.41 142.8 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.16 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 80.0 mtt180 -83.87 29.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 17.0 mm-40 -120.89 137.93 54.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -50.34 167.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.9 mt -105.21 -38.38 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.22 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 48.1 p90 -85.79 133.84 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -98.29 119.29 36.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.95 135.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -130.43 123.69 30.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.09 25.41 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.71 19.11 53.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.66 120.39 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG22 HG12 ' A' ' 47' ' ' VAL . 13.1 mt -66.35 139.31 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.08 -47.22 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -123.87 160.08 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.1 tt -138.55 132.33 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.9 tp -66.66 126.69 29.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -80.43 116.92 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.99 45.15 5.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.49 -141.13 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.08 -46.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -46.76 -64.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.26 -48.75 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.93 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.73 -44.71 97.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.436 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 131.83 27.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD11 HD11 ' A' ' 13' ' ' ILE . 45.7 mm -83.03 136.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.23 113.6 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 31' ' ' ILE . 7.2 m -56.21 149.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.81 -19.58 51.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -95.02 136.94 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 10.2 ttt180 -89.1 144.63 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 82' ' ' THR . 7.3 mm -82.44 133.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.3 pt -118.88 -14.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.08 152.58 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -146.73 140.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ILE . 66.1 m-80 35.66 31.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.75 41.99 14.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.2 mm100 -142.57 125.02 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 t -61.4 123.02 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.37 -6.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.04 -31.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.06 25.75 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 63' ' ' PRO . 81.7 m -110.77 139.31 21.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.569 0.699 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.6 Cg_endo -69.82 143.67 51.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.229 . . . . 0.0 112.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.724 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.1 t60 -42.96 -52.41 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -59.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.63 -50.23 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 64' ' ' HIS . 77.1 mt -49.17 -50.5 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.724 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.6 mm -57.29 -44.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -46.24 90.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD13 HD11 ' A' ' 54' ' ' ILE . 30.4 mt -59.22 -68.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.83 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -56.41 -37.21 69.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.84 -15.74 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.68 116.72 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -107.05 163.94 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.44 -122.98 24.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.34 123.49 23.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.943 HG21 ' NE ' ' A' ' 15' ' ' ARG . 55.8 t -130.59 109.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -86.06 118.36 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.45 112.01 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 81' ' ' LYS . 2.6 ttmp? -88.63 106.57 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.424 HG22 HD13 ' A' ' 51' ' ' ILE . 1.7 p -95.37 153.08 17.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -151.22 137.13 11.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.77 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.44 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -49.59 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.6 t80 -39.69 -56.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -54.64 -47.6 73.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 90' ' ' LEU . 13.2 mt -62.71 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 88' ' ' TYR . 43.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 81' ' ' LYS . 45.3 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.881 0.372 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -84.12 140.16 31.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -125.64 128.47 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 149.8 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -121.31 130.42 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 40' ' ' ALA . 26.4 mm -109.24 148.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.5 m80 -108.72 100.9 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.672 ' NH2' HG11 ' A' ' 78' ' ' VAL . 24.2 mtt180 -114.67 88.84 17.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.05 21.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 3.6 t-80 -120.46 150.2 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.96 -33.39 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -83.9 29.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 10.3 mm-40 -121.14 132.72 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.32 168.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.9 mt -102.6 -45.31 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.76 -49.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 45.6 p90 -88.23 120.02 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -83.36 118.6 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.4 t -107.86 145.69 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -142.99 118.27 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.32 26.63 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.86 21.79 51.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 70.2 mt -140.95 121.01 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD13 HG23 ' A' ' 45' ' ' ILE . 12.7 mt -67.8 140.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.75 -42.86 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -132.09 156.7 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 45' ' ' ILE . 2.5 tt -130.75 135.92 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' HA3' ' A' ' 38' ' ' GLY . 5.7 tp -67.54 110.44 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -66.63 113.41 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.9 42.54 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.571 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -122.84 -142.91 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.45 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.3 mt -98.63 -42.32 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.69 -58.94 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -43.24 -39.62 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -77.65 -28.02 51.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.02 -38.31 40.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.55 23.64 1.49 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 13' ' ' ILE . 36.5 mm -79.95 136.66 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -135.1 125.28 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.65 151.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.57 -25.55 20.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -77.11 150.52 35.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.27 135.5 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 82' ' ' THR . 9.3 mm -84.74 119.28 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -105.74 -25.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -146.53 149.1 32.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.0 pp -146.99 146.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.631 HD21 HG13 ' A' ' 78' ' ' VAL . 27.0 m120 34.55 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.45 48.48 77.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -150.38 119.41 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -65.31 122.05 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.04 10.42 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.4 -21.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.22 -29.34 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.597 HG23 ' HD2' ' A' ' 63' ' ' PRO . 90.7 m -53.55 138.05 51.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.688 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.72 152.82 69.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.782 ' NE2' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -53.41 -53.66 48.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.17 -42.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -79.35 -40.59 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -55.81 -32.48 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.782 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.4 mm -68.63 -34.86 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -72.65 -31.03 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 54' ' ' ILE . 70.0 mt -74.98 -61.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -49.23 -52.96 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.6 m -59.1 -37.38 77.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 42.9 mt-10 -64.05 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -88.14 117.91 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -104.24 171.14 7.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.67 -108.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -79.68 133.34 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG11 ' NH2' ' A' ' 15' ' ' ARG . 62.1 t -131.45 106.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -83.62 106.14 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.588 HD11 ' NH2' ' A' ' 15' ' ' ARG . 71.9 mt -111.29 123.84 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HG2' HG11 ' A' ' 8' ' ' VAL . 20.9 ttmt -96.32 108.37 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 51' ' ' ILE . 50.7 p -96.45 141.95 29.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.53 136.15 11.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.61 -41.28 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.06 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.732 HG22 HD11 ' A' ' 91' ' ' LEU . 27.2 m -54.46 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.9 t80 -36.74 -60.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -52.19 -46.52 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.87 -22.95 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 88' ' ' TYR . 15.1 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' A' ' 83' ' ' MET . 47.8 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.914 0.388 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -111.41 114.76 28.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 m -96.25 139.11 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mm -117.89 131.08 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.728 HG21 ' CD2' ' A' ' 22' ' ' LEU . 43.6 mm -107.19 125.63 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' O ' HG21 ' A' ' 39' ' ' ILE . 18.1 m-70 -83.34 101.86 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 22' ' ' LEU . 12.6 mtp180 -109.73 79.83 1.51 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -158.7 153.6 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -86.5 -59.21 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -34.76 -32.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 26.6 mm-40 -79.4 142.18 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.27 -174.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.79 HD22 ' HE1' ' A' ' 24' ' ' PHE . 6.9 mt -103.86 -41.7 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 -42.16 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.79 ' HE1' HD22 ' A' ' 22' ' ' LEU . 51.2 p90 -87.19 140.92 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.3 t -107.39 127.04 53.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.37 136.99 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -126.25 114.3 18.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.73 27.81 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.42 41.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -141.12 115.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 45' ' ' ILE . 20.6 mt -59.57 140.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' O ' HG11 ' A' ' 47' ' ' VAL . 4.8 t -121.06 -62.05 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -111.78 156.31 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.9 tt -132.79 133.15 43.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.8 tp -68.3 118.94 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -74.33 120.01 19.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 36.36 8.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.48 -140.02 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.5 mt -99.17 -51.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -40.19 -65.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -41.57 -34.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -82.13 -32.84 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -71.65 -44.21 49.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.95 26.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 13' ' ' ILE . 30.0 mm -85.72 132.16 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -133.02 117.24 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' ILE . 21.2 m -47.77 170.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -37.62 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.81 152.42 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 23.3 ttt180 -108.89 148.44 30.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 59' ' ' VAL . 35.5 mm -88.12 131.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.436 HD13 ' SD ' ' A' ' 83' ' ' MET . 40.1 pt -121.05 -17.32 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.27 154.36 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.631 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.4 pp -152.66 124.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.402 HD21 HG13 ' A' ' 78' ' ' VAL . 21.5 m120 51.96 26.93 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 18.66 58.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -119.03 121.63 40.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -63.89 114.22 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 51' ' ' ILE . 35.7 m -104.49 -15.81 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.29 -33.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.73 -32.26 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.9 m -48.6 138.87 11.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.0 Cg_endo -69.8 142.49 47.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.595 ' HA ' HD12 ' A' ' 67' ' ' ILE . 38.3 t60 -38.38 -57.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.99 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -55.41 -55.6 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 64' ' ' HIS . 93.4 mt -37.62 -33.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mm -79.19 -53.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -57.2 -50.29 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.6 mt -55.37 -66.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -45.32 -53.29 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.5 m -56.58 -45.43 81.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 37.5 mt-10 -60.81 -29.7 69.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.0 119.56 16.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 10.3 m-85 -111.92 171.42 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.45 -122.95 31.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -75.47 110.19 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 55' ' ' ASN . 60.2 t -112.57 112.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.96 116.64 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.13 111.41 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -84.9 110.68 19.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -99.8 148.98 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.478 ' SD ' HG22 ' A' ' 8' ' ' VAL . 8.0 ttt -159.11 140.54 9.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 122.68 9.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.99 -46.17 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.78 -67.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.814 HG22 HD11 ' A' ' 91' ' ' LEU . 35.0 m -50.73 -71.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.86 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.5 t80 -37.66 -64.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -44.98 -44.5 9.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 90' ' ' LEU . 17.3 mt -67.08 -31.48 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' A' ' 81' ' ' LYS . 50.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -79.71 117.43 20.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.1 m -96.92 144.0 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.49 128.87 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.0 141.11 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.45 HG21 HD22 ' A' ' 22' ' ' LEU . 46.7 mm -116.67 135.67 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -100.76 104.45 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.669 ' CG ' HD21 ' A' ' 22' ' ' LEU . 30.2 mtp180 -107.73 80.04 0.92 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.25 9.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.29 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 7.5 t-80 -161.48 142.63 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' ARG . . . -93.27 -52.48 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 24.6 mmm-85 -34.35 -38.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ALA . 2.5 pp20? -91.14 139.81 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.3 -174.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.961 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 mt -103.27 -43.58 5.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.78 -29.53 5.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.961 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 55.0 p90 -92.8 123.74 36.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.15 123.87 34.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.17 138.94 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -131.14 119.47 21.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 52.62 26.77 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.72 18.46 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -136.0 116.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.551 HD13 ' CG2' ' A' ' 45' ' ' ILE . 27.1 mt -62.92 137.75 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.14 -54.18 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -122.64 157.99 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.7 tt -132.97 136.89 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 34' ' ' LEU . 17.4 tp -66.46 142.6 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -83.0 127.44 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.78 47.67 73.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 -146.56 7.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.5 mt -95.1 -54.75 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -34.77 -57.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.32 -44.18 79.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 62.8 mtp85 -58.58 -51.76 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.23 -44.24 97.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.25 31.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 31' ' ' ILE . 33.3 mm -81.52 138.35 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -135.85 113.54 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 31' ' ' ILE . 20.3 m -50.87 153.8 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.61 -35.24 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -73.34 152.83 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -107.24 136.73 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.6 mm -79.14 137.34 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -123.53 -20.32 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -151.74 153.03 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.512 HD12 ' C ' ' A' ' 54' ' ' ILE . 1.6 pp -153.11 137.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.701 HD21 HG13 ' A' ' 78' ' ' VAL . 36.2 m120 46.53 29.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.79 39.4 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -141.45 128.98 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.7 p -69.21 119.81 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 m -130.46 25.06 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.446 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 2.7 p -61.63 -33.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.25 -37.1 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 63' ' ' PRO . 86.1 m -40.87 138.33 1.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.3 Cg_endo -69.81 145.39 56.74 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.989 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.0 t60 -44.66 -53.64 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.6 -54.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -66.52 -44.33 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 64' ' ' HIS . 21.0 mt -50.61 -43.35 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.989 HD11 ' CE1' ' A' ' 64' ' ' HIS . 29.5 mm -62.75 -49.54 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.93 -34.7 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.09 -67.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' O ' ' NH1' ' A' ' 15' ' ' ARG . 23.0 mt -41.46 -43.35 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.4 m -66.53 -46.64 75.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.78 -14.73 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.98 120.57 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.77 162.95 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.47 -121.13 9.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.48 114.74 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.701 HG13 HD21 ' A' ' 55' ' ' ASN . 21.3 t -123.7 104.77 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.22 101.55 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.427 HD12 HG13 ' A' ' 13' ' ' ILE . 70.6 mt -103.91 120.79 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HG2' HG11 ' A' ' 8' ' ' VAL . 7.7 ttmm -96.4 109.13 21.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -96.29 145.39 25.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.412 ' HE3' HG22 ' A' ' 8' ' ' VAL . 3.4 ttt -155.26 136.02 8.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.41 -46.21 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.769 HG22 HD11 ' A' ' 91' ' ' LEU . 52.0 m -44.54 -58.37 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.997 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -46.83 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -45.43 -37.76 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.36 -31.73 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.997 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 81' ' ' LYS . 58.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -77.36 106.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 m -98.16 121.98 40.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.74 137.14 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.55 136.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 40' ' ' ALA . 20.9 mm -115.13 146.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -109.12 100.23 9.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.595 ' HD2' HG21 ' A' ' 78' ' ' VAL . 86.6 mtt180 -113.92 91.09 20.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -35.1 13.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 3.8 t-80 -118.3 149.98 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.83 -31.42 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 73.1 mtt180 -83.93 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.06 135.94 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -50.81 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.7 mt -106.46 -57.62 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.85 -40.28 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 46.0 p90 -98.3 140.98 31.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.44 124.82 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.55 129.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -127.25 110.17 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.99 32.79 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.86 17.54 74.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.774 HD11 ' HE ' ' A' ' 50' ' ' ARG . 96.2 mt -137.71 113.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.573 HD13 ' CG2' ' A' ' 45' ' ' ILE . 10.9 mt -61.64 143.79 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.97 -46.52 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -119.47 156.72 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -141.85 129.81 21.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 34' ' ' LEU . 11.9 tp -66.83 102.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -63.42 119.84 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.16 43.78 5.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.99 -142.51 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.453 HG22 HG23 ' A' ' 13' ' ' ILE . 27.4 mt -88.64 -51.65 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.68 -67.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.03 -41.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -69.03 -36.23 77.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -68.78 -48.27 50.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.19 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.573 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.1 mm -88.48 135.39 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -126.42 119.73 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.19 145.47 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.46 -28.6 14.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.39 135.21 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.774 ' HE ' HD11 ' A' ' 30' ' ' ILE . 5.6 tpp85 -89.16 134.62 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.51 HD13 HG22 ' A' ' 82' ' ' THR . 8.8 mm -78.53 141.94 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.0 pt -123.9 -24.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -154.86 139.04 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.1 pp -133.33 133.04 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 45.61 33.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.33 42.91 33.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -145.39 118.49 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 124.48 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ALA . 34.9 m -118.77 -12.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -42.7 -24.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -116.77 -41.71 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 63' ' ' PRO . 87.2 m -40.16 139.2 1.05 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.72 139.84 41.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.479 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.7 t60 -38.71 -51.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.11 -67.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.7 tpp85 -50.28 -54.0 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 64' ' ' HIS . 81.2 mt -42.94 -42.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -66.52 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -41.86 71.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 54' ' ' ILE . 95.8 mt -65.03 -61.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.47 -51.53 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.53 -48.38 81.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.6 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.4 mm-40 -57.05 -32.36 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.76 117.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.48 172.83 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.17 -117.33 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.53 119.05 16.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 ' HD2' ' A' ' 15' ' ' ARG . 45.6 t -121.86 97.91 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.81 115.43 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.07 113.94 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 8' ' ' VAL . 16.3 ttmt -86.99 105.94 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 51' ' ' ILE . 6.9 p -97.22 146.13 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 13.4 ttt -151.9 139.25 12.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.691 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.73 114.84 3.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.18 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.8 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.742 HG22 HD11 ' A' ' 91' ' ' LEU . 27.9 m -50.88 -59.48 4.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.846 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.5 t80 -43.42 -59.54 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -49.67 -49.41 47.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.56 -40.0 77.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 88' ' ' TYR . 5.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 ' HD3' ' A' ' 81' ' ' LYS . 52.2 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.5 m -99.66 132.33 45.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -116.36 139.1 50.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.49 146.1 50.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.8 128.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.651 HD11 ' CG1' ' A' ' 45' ' ' ILE . 4.1 mm -112.11 159.68 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.681 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.0 m80 -116.38 102.58 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.585 ' CD ' HG21 ' A' ' 78' ' ' VAL . 6.0 mtp-105 -112.84 86.48 8.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.28 22.79 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -121.59 147.42 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.57 -34.86 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -83.32 26.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 61.9 mm-40 -121.78 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -60.61 173.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.706 HD22 ' HE1' ' A' ' 24' ' ' PHE . 5.5 mt -105.85 -54.97 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.62 -37.69 2.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.706 ' HE1' HD22 ' A' ' 22' ' ' LEU . 47.0 p90 -92.21 132.73 36.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.6 t -97.95 130.73 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -107.51 138.64 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -136.64 105.25 5.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t0 71.85 27.33 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.71 68.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.75 123.59 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.553 HD13 ' CG2' ' A' ' 45' ' ' ILE . 13.0 mt -66.01 141.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.77 -58.63 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -111.74 157.65 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -134.37 132.89 39.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.42 146.37 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -83.26 145.75 28.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.97 44.98 19.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.68 -168.5 18.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.681 HG21 ' O ' ' A' ' 14' ' ' HIS . 3.1 mt -77.6 -40.54 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -55.05 -69.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ALA . 37.8 tt0 -36.79 -39.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -69.63 -48.23 60.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -56.29 -44.75 89.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.96 26.32 0.85 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.651 ' CG1' HD11 ' A' ' 13' ' ' ILE . 14.7 mm -78.22 133.13 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -128.22 118.22 22.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -53.02 166.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 -34.61 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -72.41 143.85 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -99.43 146.84 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -90.81 130.29 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' C ' HG22 ' A' ' 59' ' ' VAL . 34.9 pt -113.92 -21.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -159.28 145.63 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 55' ' ' ASN . 1.2 pp -141.43 128.43 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.613 ' HB2' HD12 ' A' ' 54' ' ' ILE . 30.1 m120 54.76 29.37 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.54 21.84 63.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -120.63 121.01 37.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 m -62.47 115.34 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG22 ' C ' ' A' ' 52' ' ' ILE . 35.6 m -107.09 -13.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -45.35 -24.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.52 -33.52 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 63' ' ' PRO . 83.7 m -49.59 139.22 15.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.81 141.41 44.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.653 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.9 t60 -36.98 -51.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.89 -66.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ILE . 20.2 mmt-85 -52.4 -54.35 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 64' ' ' HIS . 95.1 mt -38.07 -34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.95 -52.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.55 -48.53 79.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.6 mt -55.35 -63.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.2 -51.49 25.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.7 m -56.64 -47.61 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.1 mt-10 -55.75 -35.54 66.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 15' ' ' ARG . . . -56.77 120.87 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -110.21 170.22 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.43 -119.32 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -72.7 116.69 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.585 HG21 ' CD ' ' A' ' 15' ' ' ARG . 59.5 t -116.29 128.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -100.13 129.48 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -134.27 118.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HD3' HG11 ' A' ' 8' ' ' VAL . 15.3 ttmt -94.78 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 p -94.74 149.18 21.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -153.28 137.09 10.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.31 -41.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.85 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 91' ' ' LEU . 5.3 m -53.8 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.9 t80 -41.73 -67.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 mtm105 -48.11 -42.8 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.84 -36.04 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 88' ' ' TYR . 11.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.9 m -79.84 115.73 19.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.4 m -107.65 133.06 52.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.52 140.62 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -112.37 136.36 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 40' ' ' ALA . 44.6 mm -112.16 140.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -108.53 101.47 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 12.5 mtm105 -110.71 81.7 2.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.635 0.731 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -10.28 28.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.1 t-80 -136.68 148.11 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.42 -32.89 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 44.4 mtp85 -84.02 29.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 132.6 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.1 178.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.1 mt -107.56 -45.97 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 -43.47 1.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 34.7 p90 -91.84 138.71 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.0 t -104.39 119.25 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -101.02 132.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -125.25 114.04 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 57.2 28.81 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.19 19.04 56.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.93 118.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 51' ' ' ILE . 10.1 mt -64.79 138.48 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.77 -47.63 2.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.38 151.89 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.6 tt -133.09 131.15 40.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 34' ' ' LEU . 15.5 tp -70.64 111.35 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -71.59 114.11 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.7 37.57 4.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.91 -137.56 4.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.439 HG22 HG23 ' A' ' 13' ' ' ILE . 5.2 mt -96.72 -41.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -56.05 -66.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' N ' HD21 ' A' ' 34' ' ' LEU . 10.3 tm-20 -45.83 -41.66 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.18 86.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.59 29.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -87.61 141.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -132.45 122.54 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.2 158.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.78 -19.46 20.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -84.96 137.58 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -97.01 138.81 33.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 31' ' ' ILE . 16.7 mm -78.86 139.66 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -123.96 -15.72 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -162.58 146.64 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.6 pp -144.19 124.92 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 m120 51.65 26.77 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.5 20.97 53.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -117.6 120.94 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -67.23 109.58 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -105.06 -1.45 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.2 -26.27 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.56 15.99 10.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 92.1 m -101.24 138.48 19.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 111.131 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.75 141.41 45.19 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.515 ' NE2' HD11 ' A' ' 68' ' ' ILE . 6.9 t60 -39.32 -55.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.89 -63.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -55.01 -48.48 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.8 mt -47.16 -40.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 64' ' ' HIS . 23.3 mm -66.74 -34.12 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.57 -29.65 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 54' ' ' ILE . 35.2 mt -77.8 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.52 -44.17 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -67.07 -41.21 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.89 -12.48 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.39 112.53 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 2.9 m-85 -106.29 167.95 9.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.43 -118.45 14.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.8 98.98 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.59 108.68 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.47 119.17 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.68 119.79 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -90.78 109.12 20.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -99.16 147.5 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.96 137.06 9.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.97 6.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.28 -42.89 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.984 HG22 HD11 ' A' ' 91' ' ' LEU . 44.9 m -50.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -38.12 -63.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -48.12 -42.9 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.08 -33.15 75.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.984 HD11 HG22 ' A' ' 87' ' ' THR . 5.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.845 HG11 HD11 ' A' ' 52' ' ' ILE . 45.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.901 0.381 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.9 m -93.21 125.61 37.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -111.74 138.72 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 79' ' ' HIS . 38.9 mm -114.47 139.85 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 14' ' ' HIS . 6.7 mm -117.7 160.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.554 ' N ' HG22 ' A' ' 13' ' ' ILE . 19.6 m-70 -118.36 101.44 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -110.75 84.23 4.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -18.0 37.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 t-80 -126.42 154.22 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.41 -36.63 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -83.9 28.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.4 mm-40 -122.64 139.35 54.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -68.86 -177.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.705 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.7 mt -110.62 -36.76 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.26 -35.83 4.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 51.2 p90 -97.61 142.8 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.66 131.0 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.57 126.19 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -118.12 109.92 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 62.41 32.38 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.7 63.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 49' ' ' HIS . 1.3 mt -137.03 114.36 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 47' ' ' VAL . 18.2 mt -62.79 138.73 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.81 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -108.19 156.78 18.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.1 tt -140.77 129.02 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 34' ' ' LEU . 13.9 tp -68.44 98.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -62.68 94.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.57 -28.74 4.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.485 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -61.02 -148.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.2 mt -87.51 -32.23 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB2' ' HD1' ' A' ' 24' ' ' PHE . . . -55.34 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' HD21 ' A' ' 34' ' ' LEU . 13.4 tt0 -45.7 -50.03 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.38 -33.33 72.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.09 -44.43 23.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.22 40.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 13' ' ' ILE . 33.5 mm -89.5 143.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -130.83 119.88 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 31' ' ' ILE . 33.4 m -68.15 158.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.49 84.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' ILE . 8.9 m170 -92.18 171.1 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -119.38 141.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 80' ' ' ILE . 48.3 mm -89.55 118.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG11 ' A' ' 8' ' ' VAL . 22.0 pt -106.22 -28.36 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -149.61 151.9 34.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.2 pp -148.22 144.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 38.02 36.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.04 38.67 55.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' ILE . 73.8 mt-30 -139.0 123.09 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 111.19 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.73 10.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -44.47 -43.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.96 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.652 HG23 ' HD2' ' A' ' 63' ' ' PRO . 99.0 m -44.24 138.79 3.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.76 141.8 46.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 64' ' ' HIS . 2.4 t60 -41.32 -55.37 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.81 -58.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.18 -50.93 71.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 64' ' ' HIS . 69.9 mt -44.59 -43.47 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 64' ' ' HIS . 45.8 mm -60.91 -52.85 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.77 -38.62 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' A' ' 54' ' ' ILE . 95.1 mt -67.64 -64.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -42.37 -42.68 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.2 m -70.92 -41.03 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.39 -12.6 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.05 117.17 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 4.5 m-85 -108.24 170.13 8.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.57 -112.85 2.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.25 91.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.13 102.39 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CG ' HD12 ' A' ' 12' ' ' ILE . 6.6 m170 -79.04 137.88 37.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 51' ' ' ILE . 60.9 mt -136.81 115.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.442 ' HZ2' ' CG1' ' A' ' 8' ' ' VAL . 3.5 tptp -85.19 112.78 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -105.33 147.07 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.11 137.16 9.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.534 0.683 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.86 -41.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.55 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.538 HG22 HD11 ' A' ' 91' ' ' LEU . 89.1 m -40.1 -64.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.995 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -43.5 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -42.69 -41.72 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.4 -29.54 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.995 HD12 ' HA ' ' A' ' 88' ' ' TYR . 26.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 81' ' ' LYS . 4.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.902 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -91.68 126.23 36.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 11' ' ' ALA . 49.0 m -120.12 156.96 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 10' ' ' THR . . . -137.79 162.65 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mm -123.45 118.39 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 45' ' ' ILE . 17.3 mm -102.67 144.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -114.45 103.03 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' NH1' ' HB ' ' A' ' 13' ' ' ILE . 37.5 mtt85 -107.19 84.59 1.73 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 -32.83 18.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -128.08 150.39 49.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.39 -31.34 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -83.26 26.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 6.1 mm-40 -122.16 131.5 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -49.58 174.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.2 mt -109.02 -61.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 124.24 -47.07 1.04 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 42.8 p90 -85.81 135.73 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -103.6 125.18 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.68 139.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -134.55 112.84 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.0 27.83 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.02 56.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.488 HD11 ' HE ' ' A' ' 50' ' ' ARG . 86.1 mt -139.54 118.45 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' CG2' ' A' ' 45' ' ' ILE . 14.9 mt -64.58 138.53 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.3 m -116.18 -49.23 2.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -125.81 155.28 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -132.66 127.19 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' CA ' ' A' ' 23' ' ' GLY . 9.2 tp -66.83 102.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.96 115.87 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.26 30.89 6.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.99 -151.25 8.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 6.8 mt -86.52 -57.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -34.78 -62.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -43.57 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -54.7 -42.71 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.64 -43.69 98.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.1 28.39 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.2 mm -82.28 133.5 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -126.43 123.25 37.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.53 140.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.67 37.5 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.78 138.54 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HE ' HD11 ' A' ' 30' ' ' ILE . 2.1 tpp85 -89.63 135.6 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG22 ' A' ' 82' ' ' THR . 37.7 mm -82.13 132.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.89 -11.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -156.57 148.44 22.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.547 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.2 pp -149.33 135.71 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 38.18 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 82.46 38.13 13.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.7 mm-40 -140.93 124.6 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.4 p -67.92 120.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.84 20.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 88' ' ' TYR . 2.1 p -57.95 -28.29 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.98 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HD2' ' A' ' 63' ' ' PRO . 94.3 m -43.56 139.01 2.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.73 158.13 58.05 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.812 ' CE1' HD11 ' A' ' 68' ' ' ILE . 2.2 t-80 -52.98 -55.1 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.62 -59.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -61.56 -37.05 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 64' ' ' HIS . 57.8 mt -61.24 -30.94 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.812 HD11 ' CE1' ' A' ' 64' ' ' HIS . 28.3 mm -71.44 -47.63 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.33 -36.28 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 54' ' ' ILE . 12.5 mt -67.04 -68.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.47 -47.6 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.9 m -65.45 -39.84 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.1 mt-10 -60.55 -23.22 64.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.38 118.86 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -112.77 167.42 10.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.52 -124.34 8.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -80.53 110.37 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -117.59 129.24 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' CD1' ' A' ' 12' ' ' ILE . 11.0 m-70 -102.23 113.12 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.451 HD12 HG13 ' A' ' 13' ' ' ILE . 23.1 mt -112.4 121.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' A' ' 8' ' ' VAL . 14.1 ttmt -95.12 107.93 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 51' ' ' ILE . 45.3 p -96.36 144.75 26.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -149.56 137.08 11.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 116.54 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -37.87 -38.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.23 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.4 m -41.64 -66.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.642 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -40.35 -62.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -47.26 -38.95 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.13 -29.34 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 88' ' ' TYR . 69.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.529 HG11 ' HE2' ' A' ' 81' ' ' LYS . 93.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.933 0.397 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -87.97 112.48 22.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 m -103.91 137.71 41.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.68 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mt -111.57 141.39 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.806 HG21 ' CD2' ' A' ' 22' ' ' LEU . 24.4 mm -116.27 128.95 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.549 ' O ' HG21 ' A' ' 39' ' ' ILE . 5.9 m80 -84.41 104.74 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -116.74 78.87 9.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.23 13.64 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.651 ' CE1' ' NH2' ' A' ' 19' ' ' ARG . 8.0 t-80 -157.37 157.99 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -90.82 -61.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' A' ' 17' ' ' HIS . 25.2 mtm105 -34.79 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 18' ' ' ALA . 52.4 mm-40 -77.51 136.56 38.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -72.88 -174.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.806 ' CD2' HG21 ' A' ' 13' ' ' ILE . 6.2 mt -106.33 -56.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.34 -32.96 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.714 ' HE2' HD22 ' A' ' 22' ' ' LEU . 50.8 p90 -95.49 140.71 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -107.83 127.47 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -103.33 129.65 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -120.7 110.88 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.76 27.41 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.44 20.07 52.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.458 HG12 ' CG ' ' A' ' 50' ' ' ARG . 36.8 mt -142.04 118.68 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.414 HG22 HG12 ' A' ' 47' ' ' VAL . 20.2 mt -57.94 142.39 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -120.31 -57.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.2 p -121.04 149.87 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.5 tt -124.86 137.2 54.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.7 tp -71.16 114.19 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -77.63 100.01 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.87 40.49 0.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.96 -144.77 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 ' O ' ' A' ' 14' ' ' HIS . 10.2 mt -87.63 -47.97 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -39.85 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.35 -47.42 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -59.13 -34.1 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.97 -44.97 17.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.74 22.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.751 ' CG1' HD11 ' A' ' 13' ' ' ILE . 32.5 mm -70.14 129.23 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -125.55 110.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 31' ' ' ILE . 10.3 m -54.11 164.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.92 -31.86 5.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.78 153.36 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.8 tmm_? -108.27 128.53 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mm -67.66 135.06 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.75 -21.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -153.98 158.1 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.647 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.0 pp -150.54 129.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 45.7 32.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.93 28.68 40.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.72 126.13 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -70.94 118.88 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 20.4 m -109.21 -20.0 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' OH ' ' A' ' 88' ' ' TYR . 2.5 p -35.86 -31.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -107.88 -25.47 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.4 m -56.83 138.97 78.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.578 0.704 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.71 139.91 41.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.853 ' HA ' HD12 ' A' ' 67' ' ' ILE . 35.5 t60 -38.24 -59.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.83 -60.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -56.51 -48.05 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 64' ' ' HIS . 76.0 mt -46.36 -48.04 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.52 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.81 -42.06 97.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.09 -68.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt -41.74 -38.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.8 m -72.77 -46.89 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 8.4 mt-10 -61.64 -27.57 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.87 114.48 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 5.8 m-85 -107.43 168.88 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.16 -127.64 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -74.68 109.13 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.419 HG12 HG13 ' A' ' 80' ' ' ILE . 59.7 t -107.52 103.79 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -80.63 102.56 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.419 HG13 HG12 ' A' ' 78' ' ' VAL . 97.6 mt -102.24 113.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.529 ' HE2' HG11 ' A' ' 8' ' ' VAL . 16.6 tttt -87.08 106.11 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -97.78 131.83 43.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.64 137.12 22.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.228 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.31 -42.25 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.97 -66.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -47.74 -63.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.39 -62.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -47.99 -40.14 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.12 -21.98 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 88' ' ' TYR . 48.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -111.76 -46.15 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.831 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -78.28 98.56 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.27 123.51 5.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -105.35 84.28 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -54.9 116.83 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.56 -75.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.7 t -93.35 132.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -84.6 129.4 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -120.39 125.57 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.6 155.73 29.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -124.43 116.67 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG23 ' CG2' ' A' ' 39' ' ' ILE . 25.1 mm -94.48 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -102.12 100.16 10.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HD2' HD21 ' A' ' 22' ' ' LEU . 58.4 mtp180 -107.58 82.81 1.39 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.92 29.19 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -125.86 154.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 -32.39 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mtt85 -83.97 29.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.3 mm-40 -118.63 140.84 49.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.06 -179.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.9 mt -109.87 -39.27 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.48 -46.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.844 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.6 p90 -88.77 132.2 34.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 t -99.99 122.1 42.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -103.36 137.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -132.27 113.42 13.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.44 33.17 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.82 17.49 72.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.53 118.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.707 HD13 HG23 ' A' ' 45' ' ' ILE . 14.8 mt -62.61 139.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 1.8 t -118.97 -59.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -112.83 157.09 21.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.1 tt -134.82 132.58 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 120.69 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -66.95 127.45 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.22 47.51 44.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.3 -146.0 6.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 13' ' ' ILE . 17.0 mt -92.62 -52.68 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.91 -60.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -50.6 -42.17 55.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ILE . 84.3 mtt180 -64.55 -50.92 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.94 73.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 30.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.707 HG23 HD13 ' A' ' 31' ' ' ILE . 29.9 mm -87.85 132.15 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.12 123.24 22.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 20.6 m -53.23 154.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.97 -32.53 6.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.1 142.63 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -98.33 151.39 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.04 132.47 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.407 HD13 ' SD ' ' A' ' 83' ' ' MET . 30.8 pt -123.4 -15.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -161.37 147.59 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 54' ' ' ILE . 2.0 pp -147.39 140.61 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 54' ' ' ILE . 35.4 m120 43.05 30.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.82 39.48 24.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -64.5 115.37 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.16 14.4 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.31 -36.59 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.12 18.87 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 75.9 m -97.19 138.42 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.82 133.98 26.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.749 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.7 t60 -36.22 -54.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.63 -58.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.07 -50.97 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 64' ' ' HIS . 72.9 mt -42.53 -41.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.749 HD11 ' CE1' ' A' ' 64' ' ' HIS . 25.1 mm -64.69 -46.63 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.29 -35.56 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 54' ' ' ILE . 18.6 mt -70.02 -67.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HG12 ' A' ' 80' ' ' ILE . 13.1 mt -42.73 -44.44 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -59.83 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.71 -29.51 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 113.32 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.95 168.18 10.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.86 -111.41 4.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -82.66 96.46 8.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.47 124.54 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -101.67 107.77 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.491 HG12 HD21 ' A' ' 71' ' ' LEU . 35.3 mt -109.04 114.01 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -89.08 108.17 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -98.95 149.97 22.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.565 ' HE3' HG22 ' A' ' 8' ' ' VAL . 12.2 ttt -155.88 139.56 11.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.77 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.76 -41.45 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.661 HG22 HD11 ' A' ' 91' ' ' LEU . 4.1 m -54.52 -58.83 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.0 t80 -42.67 -61.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -55.55 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.44 -37.8 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt -66.66 -50.67 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -90.27 24.12 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.69 -43.28 5.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -136.42 141.19 43.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -148.44 172.53 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.37 154.98 26.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -133.12 168.74 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -116.84 131.35 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.91 -86.66 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.04 130.85 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.39 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.7 m -92.62 119.22 31.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 m -102.61 146.56 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.89 37.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -123.98 136.18 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 40' ' ' ALA . 10.7 mm -116.86 147.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.51 ' O ' HG21 ' A' ' 39' ' ' ILE . 13.6 m-70 -104.1 101.83 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 9.3 mtp-105 -117.5 81.79 14.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -21.64 33.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -121.81 145.03 48.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 -36.46 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -83.97 29.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 54.7 mm-40 -119.48 131.84 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -45.54 171.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt -103.58 -47.36 4.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.44 -43.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE1' HD22 ' A' ' 22' ' ' LEU . 28.9 p90 -97.62 141.68 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.81 124.26 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -109.23 127.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.13 114.95 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.6 25.68 15.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.89 21.27 47.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 49' ' ' HIS . 54.6 mt -139.49 115.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 51' ' ' ILE . 13.3 mt -60.99 142.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 50.4 t -124.4 -48.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 t -122.71 155.59 36.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -134.7 136.02 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.2 tp -67.61 116.45 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -72.18 106.52 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.83 43.01 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.63 -146.4 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.7 mt -88.92 -48.63 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.0 -63.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -41.45 -50.36 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -65.84 -35.05 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.66 -46.53 83.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.53 27.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.618 ' CG1' HD11 ' A' ' 13' ' ' ILE . 49.8 mm -81.14 142.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -133.99 117.06 16.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 m -61.95 150.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.55 -11.83 59.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 30' ' ' ILE . 7.1 m170 -93.67 165.07 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.38 134.8 53.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 31' ' ' ILE . 34.1 mm -81.47 107.63 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.69 -26.08 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -149.45 156.58 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.484 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.8 pp -148.74 136.57 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ILE . 73.1 m-20 36.96 37.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.54 48.21 14.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -150.28 118.46 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -65.7 115.47 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.67 -0.27 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -23.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.21 -30.39 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 63' ' ' PRO . 78.0 m -54.32 138.01 58.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.8 146.09 58.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.716 ' CE1' HD11 ' A' ' 68' ' ' ILE . 4.5 t60 -46.16 -55.66 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.16 -63.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.13 -52.03 67.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 64' ' ' HIS . 64.0 mt -42.3 -39.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 64' ' ' HIS . 33.8 mm -64.71 -38.15 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.3 mm-40 -67.72 -39.52 84.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 66' ' ' ARG . 36.2 mt -66.12 -68.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -40.93 -52.73 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.0 m -61.32 -44.08 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 mm-40 -57.31 -31.75 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.15 121.35 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.46 171.8 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -115.72 4.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 9.9 tt0 -72.34 110.32 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' HD3' ' A' ' 15' ' ' ARG . 87.3 t -113.26 100.37 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 11.4 m170 -77.95 138.65 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -140.39 120.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -94.08 107.34 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 132.36 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.479 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.8 ttt -142.52 139.57 17.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.4 Cg_endo -69.78 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.4 -34.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -58.11 -66.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 91' ' ' LEU . 8.1 m -53.21 -60.85 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.883 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.6 t80 -42.9 -58.42 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -51.61 -50.18 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.58 -36.25 73.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt -67.19 -50.34 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -90.06 22.32 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.4 -115.45 3.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -113.06 164.23 13.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m -114.35 151.11 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.86 171.38 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -117.59 -51.85 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -173.44 118.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.3 -42.12 0.22 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 t -128.39 136.62 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -81.02 103.75 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -92.69 130.05 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.81 146.35 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -118.55 134.79 61.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 HD11 ' CG1' ' A' ' 45' ' ' ILE . 47.1 mm -108.87 135.51 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.568 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.6 m-70 -97.07 102.23 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' HD21 ' A' ' 22' ' ' LEU . 55.3 mtp180 -111.45 81.4 3.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.86 27.07 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -122.54 148.3 45.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.8 -36.76 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -83.91 29.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 36.3 mm-40 -116.93 128.27 55.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -48.89 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.7 mt -104.76 -60.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.54 -42.52 1.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 50.2 p90 -91.23 132.8 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -97.45 121.08 38.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -103.17 139.9 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -135.93 122.31 20.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.87 25.67 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.33 18.75 56.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 70.2 mt -138.27 121.51 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 HG12 ' A' ' 47' ' ' VAL . 25.3 mt -62.45 136.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.6 -58.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -110.73 155.27 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.4 tt -135.63 129.7 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -66.81 137.84 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -80.26 137.93 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.21 44.27 96.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.54 -164.31 13.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.0 mt -80.06 -39.86 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -51.83 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -42.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -69.87 -35.95 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -70.85 -41.54 62.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.55 35.16 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG1' HD11 ' A' ' 13' ' ' ILE . 11.7 mm -92.65 137.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -134.04 115.11 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 31' ' ' ILE . 26.7 m -54.96 151.31 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.51 -20.39 49.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -84.16 133.47 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' MET . 11.8 tpt180 -85.91 130.53 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CD1' HG22 ' A' ' 82' ' ' THR . 20.3 mm -78.27 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.2 -12.87 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.06 148.08 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.5 pp -146.48 132.86 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.713 ' ND2' HG13 ' A' ' 78' ' ' VAL . 35.1 m120 49.49 28.45 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.77 39.97 16.0 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -142.7 126.49 17.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -67.33 115.07 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -106.77 -5.45 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.35 -29.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 24.83 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.055 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.7 m -117.99 139.19 26.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 148.82 65.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.803 ' CE1' HD11 ' A' ' 68' ' ' ILE . 32.4 t60 -45.66 -54.75 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -56.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 6.9 tpt180 -64.94 -49.17 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 64' ' ' HIS . 83.3 mt -45.05 -43.69 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.803 HD11 ' CE1' ' A' ' 64' ' ' HIS . 37.5 mm -65.73 -45.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.89 -41.97 92.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.682 ' HB3' HD11 ' A' ' 54' ' ' ILE . 30.1 mt -65.49 -66.22 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 80' ' ' ILE . 12.7 mt -43.02 -48.56 6.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.2 m -61.84 -45.69 92.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.4 mt-10 -55.52 -31.47 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.82 123.02 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 54.9 m-85 -120.56 165.95 14.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.65 -106.33 1.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -95.37 100.39 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG13 ' ND2' ' A' ' 55' ' ' ASN . 85.8 t -104.65 117.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -90.27 102.98 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG12 HD21 ' A' ' 71' ' ' LEU . 90.5 mt -103.51 111.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -86.28 106.69 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CD1' ' A' ' 51' ' ' ILE . 64.4 p -98.16 150.9 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' ARG . 1.1 tpt -156.01 137.03 9.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.52 4.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.7 -33.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -65.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 m -57.45 -57.52 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -45.84 -56.13 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.97 -45.59 74.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.11 -32.25 73.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 88' ' ' TYR . 41.6 mt -72.42 -48.93 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 p -72.13 -11.79 60.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . . . -89.74 -81.62 1.34 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 93' ' ' GLY . 5.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -91.1 171.17 9.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -69.38 139.85 54.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.86 -118.73 0.49 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t 69.41 44.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -105.18 95.49 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.3 -87.34 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.1 t -81.69 123.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.1 m -86.21 124.83 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -110.8 142.53 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.57 155.42 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mm -127.7 116.17 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 17.5 mm -100.6 132.21 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -95.55 100.14 11.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HD2' HD21 ' A' ' 22' ' ' LEU . 43.4 mtp180 -107.37 83.93 1.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.44 24.15 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -124.6 139.88 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.94 -30.98 31.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 14.6 mtp180 -83.75 29.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 5.6 mm-40 -120.19 137.46 54.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -56.75 173.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.885 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.7 mt -105.28 -57.64 2.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.01 -38.74 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.885 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.5 p90 -93.28 122.64 35.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -86.76 133.59 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.71 144.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.38 122.18 12.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 56.66 27.03 11.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.15 22.64 54.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 50' ' ' ARG . 74.7 mt -139.17 121.17 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.72 HG22 HG12 ' A' ' 47' ' ' VAL . 31.8 mt -67.87 143.38 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.0 t -117.37 -60.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -116.71 161.98 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD21 ' HB3' ' A' ' 40' ' ' ALA . 4.0 tt -135.42 131.92 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.8 tp -69.92 100.05 1.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -60.01 123.27 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.67 29.7 10.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.31 -140.08 5.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 13' ' ' ILE . 8.8 mt -95.65 -50.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.861 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.84 -59.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.04 -44.65 67.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -59.61 -54.49 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.44 96.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.46 31.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.577 ' HB ' ' HB1' ' A' ' 40' ' ' ALA . 43.6 mm -73.97 130.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -123.11 112.89 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.72 HG12 HG22 ' A' ' 31' ' ' ILE . 28.9 m -55.48 151.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.86 -26.87 12.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -74.92 131.25 40.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 30' ' ' ILE . 4.6 tpp85 -84.29 133.19 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.62 142.93 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.2 pt -126.13 -28.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -153.98 131.24 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.502 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.5 pp -123.85 144.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ILE . 67.8 m-80 37.37 29.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.86 42.54 12.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ILE . 21.1 mm-40 -145.66 130.13 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.8 p -64.66 123.21 18.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG12 ' A' ' 54' ' ' ILE . 30.0 m -121.38 -12.64 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -44.9 -24.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.05 -34.94 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.9 m -48.11 139.18 10.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.78 134.45 27.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.635 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -36.11 -53.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.51 -51.58 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -69.71 -46.88 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.16 -42.37 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 64' ' ' HIS . 11.2 mm -67.27 -40.42 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.19 -44.33 92.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.24 -67.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -41.74 -44.92 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.6 m -65.25 -50.59 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 5.3 mm-40 -56.57 -34.87 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.33 126.51 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.9 m-85 -114.51 172.2 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.4 -121.48 14.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.425 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 131.9 43.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 80' ' ' ILE . 94.4 t -129.44 103.98 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -82.75 103.55 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.598 HG13 HG12 ' A' ' 78' ' ' VAL . 85.7 mt -109.26 110.47 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -86.8 106.07 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -97.54 135.94 38.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.649 ' HE3' HG22 ' A' ' 8' ' ' VAL . 9.1 ttt -139.8 140.13 23.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.2 Cg_endo -69.71 114.69 3.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.07 -42.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.07 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.647 HG22 HD11 ' A' ' 91' ' ' LEU . 48.1 m -53.89 -64.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.1 t80 -37.57 -61.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -50.72 -47.67 59.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.66 -39.43 77.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 88' ' ' TYR . 7.5 mt -66.48 -54.53 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.1 t -91.87 26.22 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.54 140.2 4.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -154.73 114.83 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -77.29 132.75 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.59 58.1 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -153.44 127.17 8.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -158.27 134.3 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.39 -72.19 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -78.24 134.13 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 m -82.39 123.87 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.1 m -116.52 128.8 55.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.39 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt -119.74 140.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 40' ' ' ALA . 4.1 mm -118.44 150.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' O ' HG21 ' A' ' 39' ' ' ILE . 38.2 m-70 -103.62 101.27 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' NH1' HG21 ' A' ' 13' ' ' ILE . 37.2 mtt-85 -115.04 83.38 9.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -19.64 35.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -127.66 137.49 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.62 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 43.2 mtp85 -84.0 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 4.5 mm-40 -117.87 146.92 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -52.99 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 15.0 mt -117.32 -51.25 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.11 -43.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 36.9 p90 -93.05 123.03 36.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -84.66 120.78 26.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 31' ' ' ILE . 84.6 t -107.51 128.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -119.5 112.26 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.25 29.36 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.97 58.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -134.03 113.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 51' ' ' ILE . 18.2 mt -64.74 130.27 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 39.2 t -109.74 -51.23 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -120.42 161.1 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' NH2' ' A' ' 46' ' ' ARG . 2.5 tt -137.18 135.75 37.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 34' ' ' LEU . 5.8 tp -68.99 116.16 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -74.01 110.32 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.21 36.83 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -121.22 -149.3 8.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.515 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.3 mt -89.64 -46.7 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.59 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.38 -45.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -72.42 -36.17 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -64.37 -48.03 78.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.78 32.99 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.67 ' CG1' HD11 ' A' ' 13' ' ' ILE . 28.0 mm -94.02 132.73 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.58 ' NH2' HD13 ' A' ' 34' ' ' LEU . 8.0 mmp_? -130.38 124.78 32.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.8 162.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.87 -34.48 4.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -78.97 134.13 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 9.7 ttm180 -89.54 143.35 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 31' ' ' ILE . 35.0 mm -82.37 131.86 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 pt -122.49 -12.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.23 135.53 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -137.75 145.99 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.655 HD21 HG13 ' A' ' 78' ' ' VAL . 12.9 m120 38.25 34.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.73 42.52 53.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . 8.7 mt-30 -143.68 121.38 11.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -63.7 113.14 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.49 10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.65 -25.74 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 -37.86 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 63' ' ' PRO . 96.7 m -37.8 139.06 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.69 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.766 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.3 t60 -40.34 -57.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.73 -56.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -62.69 -47.03 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 64' ' ' HIS . 86.1 mt -46.31 -44.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 64' ' ' HIS . 20.8 mm -62.22 -42.72 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.29 -38.15 85.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 54' ' ' ILE . 48.2 mt -69.91 -66.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -42.62 -41.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.9 m -64.95 -48.68 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 51.8 mm-40 -57.02 -34.55 68.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 55' ' ' ASN . . . -62.7 114.54 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.39 164.04 12.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.55 -110.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.03 124.24 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 55' ' ' ASN . 55.2 t -125.76 104.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.1 109.45 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.506 HG13 HG12 ' A' ' 78' ' ' VAL . 94.9 mt -112.38 114.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -89.55 106.31 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -96.13 146.13 24.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.3 tpt -146.56 136.27 11.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 122.04 8.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 89' ' ' ARG . . . -45.35 -39.07 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.6 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 91' ' ' LEU . 32.8 m -52.09 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.744 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -44.01 -57.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 15.2 mmm180 -48.51 -47.04 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt -69.92 -35.87 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.5 p -93.64 17.02 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.51 -176.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.947 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -126.39 42.13 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 m -87.59 176.57 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.24 -102.39 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -99.92 105.19 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -139.82 134.01 31.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.48 -57.66 4.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG22 ' CE ' ' A' ' 83' ' ' MET . 51.9 t -104.35 121.06 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -81.12 118.2 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 m -104.88 125.41 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.07 149.08 48.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.07 134.67 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 45' ' ' ILE . 4.9 mm -114.56 152.08 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.528 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.2 m-70 -110.71 105.05 13.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 12.5 mtp-105 -116.5 87.57 21.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.19 12.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.222 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -115.7 149.55 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.78 18.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 98.0 mtt180 -83.94 29.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 9.5 mm-40 -122.16 126.25 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -45.39 169.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 24' ' ' PHE . 5.6 mt -99.9 -46.86 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.97 -44.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.0 p90 -90.63 133.05 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -95.71 119.0 33.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 31' ' ' ILE . 55.6 t -109.61 136.39 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -129.58 110.8 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.33 29.3 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.03 23.43 49.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.09 116.23 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 47' ' ' VAL . 11.8 mt -68.74 142.93 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.91 -47.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -118.11 161.96 18.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tt -142.52 131.76 23.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.34 109.18 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -68.18 105.16 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.44 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.76 -148.56 7.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.6 mt -88.91 -42.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.07 -68.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' ALA . 30.7 tt0 -36.66 -49.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -66.79 -37.9 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.82 -47.82 82.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.8 27.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 13' ' ' ILE . 37.4 mm -81.12 142.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -136.42 113.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG12 HG22 ' A' ' 31' ' ' ILE . 35.7 m -54.5 160.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.57 -12.31 56.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.49 133.19 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -85.14 142.43 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.503 ' CD1' HG22 ' A' ' 82' ' ' THR . 49.5 mm -86.91 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 pt -123.57 -15.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 81' ' ' LYS . 29.4 tt0 -155.04 144.24 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.3 pp -145.1 142.14 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' ILE . 69.4 m-80 36.75 38.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.74 49.87 27.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -149.13 124.5 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -67.87 102.79 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.37 11.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.847 HG21 ' OH ' ' A' ' 88' ' ' TYR . 12.4 p -52.67 -26.65 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.79 -33.83 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.646 HG23 ' HD2' ' A' ' 63' ' ' PRO . 97.1 m -44.71 138.76 3.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.78 138.63 38.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.789 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.6 t60 -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -37.71 -53.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.19 -42.11 84.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 64' ' ' HIS . 75.0 mt -50.43 -41.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.789 HD11 ' CE1' ' A' ' 64' ' ' HIS . 50.1 mm -64.92 -44.92 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.21 -41.5 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.34 -66.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 67' ' ' ILE . 9.4 mt -43.9 -53.07 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.3 m -59.62 -45.72 91.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 6.7 mm-40 -64.72 -17.97 64.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.59 113.61 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.14 167.86 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.51 -118.63 14.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 32.8 tt0 -78.54 119.9 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.7 99.97 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 51.9 m-70 -80.08 104.33 10.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.1 mt -108.18 122.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' A' ' 8' ' ' VAL . 17.7 tttt -98.52 106.11 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 51' ' ' ILE . 58.2 p -97.37 153.17 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.6 ttt -153.26 140.0 12.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.78 121.04 7.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.25 -40.05 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.93 -65.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 91' ' ' LEU . 23.8 m -51.0 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.884 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -38.31 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -52.05 -42.05 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.35 -31.48 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 88' ' ' TYR . 6.2 mt -74.57 -33.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -93.97 23.76 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.64 -78.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -91.25 103.13 15.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -117.21 145.37 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.15 98.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -52.36 169.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -126.07 47.54 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.62 -45.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 52' ' ' ILE . 76.9 t -103.76 138.46 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -85.04 128.96 34.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -112.01 131.26 55.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.75 126.34 36.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mt -105.63 134.64 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.727 HD11 ' CG1' ' A' ' 45' ' ' ILE . 34.4 mm -111.62 154.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.504 ' O ' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -107.81 100.12 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -111.05 80.42 2.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.91 33.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -151.4 144.77 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.47 -59.79 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 22.7 mmm180 -34.4 -32.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 8.5 mm-40 -80.86 131.88 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -67.02 -174.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.615 HD22 ' HE1' ' A' ' 24' ' ' PHE . 4.9 mt -104.55 -42.34 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.87 -41.22 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' HE1' HD22 ' A' ' 22' ' ' LEU . 38.8 p90 -87.41 134.29 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.76 127.59 48.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.32 128.88 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -125.61 102.99 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' CE1' ' A' ' 64' ' ' HIS . 3.2 t70 74.14 36.75 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.36 18.08 79.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -139.79 119.92 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 HG12 ' A' ' 47' ' ' VAL . 17.8 mt -61.68 138.86 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.39 -64.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -111.69 157.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -129.14 132.49 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -68.78 132.02 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 17.8 ttp-105 -78.18 149.33 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.87 39.24 47.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.17 8.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.0 mt -95.89 -43.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -49.54 -65.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.32 -50.76 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -61.54 -39.34 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.6 -48.06 71.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.73 8.45 3.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' HD11 ' A' ' 13' ' ' ILE . 18.4 mm -56.73 132.57 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -125.46 116.36 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 31' ' ' ILE . 31.1 m -56.8 168.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.01 -38.08 2.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -73.04 137.18 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -90.4 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.66 HG22 HG21 ' A' ' 59' ' ' VAL . 41.6 mm -80.77 133.83 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.7 HD13 ' SD ' ' A' ' 83' ' ' MET . 17.7 pt -117.14 -26.04 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -145.16 157.11 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.721 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -153.18 128.32 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 HD21 ' CD1' ' A' ' 54' ' ' ILE . 12.1 m-80 43.04 34.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.91 41.37 23.16 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.53 134.69 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -71.75 114.48 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.66 HG21 HG22 ' A' ' 51' ' ' ILE . 34.6 m -107.51 -12.26 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.61 -23.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.85 -29.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.661 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.4 m -49.15 139.07 13.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 133.44 25.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' ' H ' ' A' ' 28' ' ' ASP . 23.6 t60 -34.73 -49.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.14 -69.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.6 tpp85 -49.01 -51.54 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 64' ' ' HIS . 94.8 mt -41.27 -39.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.32 -45.93 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.83 -38.86 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.44 -70.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 mt -39.1 -47.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -62.74 -49.57 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 44.2 mt-10 -57.57 -36.27 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 113.92 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 8.6 m-85 -109.36 161.25 15.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.98 -122.65 10.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.06 104.26 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.34 99.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.91 105.64 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.1 mt -105.6 116.99 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -89.61 109.06 20.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.7 p -99.03 148.67 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.7 ' SD ' HD13 ' A' ' 52' ' ' ILE . 12.0 ttt -156.64 139.82 11.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.83 -41.27 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.86 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -47.73 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.918 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.0 t80 -41.58 -61.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -46.8 -55.46 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.73 -36.75 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.7 mt -67.75 -53.56 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -90.9 27.47 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -102.18 172.66 22.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.92 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m -95.87 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.819 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -83.04 123.27 29.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.16 -114.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -86.62 153.27 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -152.72 124.38 7.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.69 -70.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HE3' ' A' ' 83' ' ' MET . 96.6 t -112.13 127.6 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.125 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 m -83.55 117.94 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 m -103.21 134.74 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.47 148.56 51.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.91 126.42 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.537 HD11 ' CG1' ' A' ' 45' ' ' ILE . 20.8 mm -105.65 157.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 39' ' ' ILE . 7.9 m80 -125.31 106.35 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.69 92.49 33.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.93 37.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.402 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -136.83 147.12 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.3 -32.05 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 27.6 mtt-85 -83.99 29.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 40.1 mm-40 -124.04 136.68 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -50.0 171.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.784 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.5 mt -107.63 -46.7 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.29 -46.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.784 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 40.4 p90 -87.41 134.66 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.4 m -102.07 122.69 44.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.23 135.23 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -126.9 116.71 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.54 25.38 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.87 20.65 42.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.6 mt -138.91 114.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' ILE . 12.9 mt -61.68 138.99 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -121.64 -46.57 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -122.69 156.66 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 40' ' ' ALA . 1.3 tt -137.98 127.83 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.55 94.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 -13.72 27.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -81.57 -142.98 3.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.2 mt -89.46 -40.46 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 111.091 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.869 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -52.12 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 5.6 tm-20 -46.88 -43.03 18.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.38 -22.22 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.64 -46.88 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.03 19.98 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.537 ' CG1' HD11 ' A' ' 13' ' ' ILE . 17.5 mm -74.79 143.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -129.4 130.48 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.45 162.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.92 -16.84 13.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -87.28 144.88 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -100.93 141.66 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.854 HG22 HG21 ' A' ' 59' ' ' VAL . 23.7 mm -82.83 133.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.557 ' C ' HG22 ' A' ' 59' ' ' VAL . 44.7 pt -121.25 -13.32 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' N ' HG22 ' A' ' 59' ' ' VAL . 11.4 tt0 -159.37 150.19 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.635 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -149.0 133.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 54' ' ' ILE . 76.0 m-20 42.77 33.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.38 32.79 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ILE . 34.1 mt-30 -133.96 121.76 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -60.81 116.79 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.854 HG21 HG22 ' A' ' 51' ' ' ILE . 35.3 m -108.51 -5.43 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 p -51.69 -22.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.87 -28.97 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.668 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.5 m -47.88 139.15 9.47 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.541 0.686 . . . . 0.0 111.204 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 140.46 42.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.516 ' HA ' HD12 ' A' ' 67' ' ' ILE . 23.7 t60 -35.92 -53.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.3 -66.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -48.09 -57.18 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 64' ' ' HIS . 84.7 mt -40.04 -37.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -75.7 -53.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.85 -57.66 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.3 mt -47.05 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -44.78 -66.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -44.76 -46.67 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 44.5 mt-10 -58.24 -33.22 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.15 117.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -103.23 171.01 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.74 -121.89 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.33 129.67 38.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.599 HG21 ' NE ' ' A' ' 15' ' ' ARG . 54.2 t -133.43 105.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.41 114.49 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.1 mt -116.54 110.56 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -85.2 106.82 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 p -96.49 145.7 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 52' ' ' ILE . 9.6 ttt -153.44 140.07 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.22 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.53 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' LEU . 8.8 m -53.61 -68.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.959 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 t80 -37.82 -53.5 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -57.56 -40.28 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' THR . 15.0 mt -68.46 -26.94 65.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.959 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.8 mt -75.78 -48.07 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -73.08 -11.37 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.42 75.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -110.46 116.82 32.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -172.36 125.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.51 -171.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 t -107.19 161.56 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 t -145.37 144.15 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.31 -72.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 t -81.09 131.87 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -79.63 115.39 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -108.34 141.49 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.73 143.46 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 79' ' ' HIS . 14.4 mm -116.8 128.55 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 18.1 mm -104.83 153.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' ILE . 25.1 m-70 -113.92 102.49 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.794 ' HD3' HD21 ' A' ' 22' ' ' LEU . 9.6 mtm180 -110.0 81.18 2.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.71 29.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -156.01 142.63 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.75 -57.42 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 27.8 mmt180 -34.75 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.7 mm-40 -80.91 142.71 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -71.87 -174.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 15' ' ' ARG . 6.4 mt -107.56 -46.44 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 119.55 -46.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 22' ' ' LEU . 41.0 p90 -85.91 144.73 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -113.8 125.34 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.61 136.04 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.53 113.71 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.62 28.33 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.71 17.7 57.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -140.06 119.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 47' ' ' VAL . 24.2 mt -59.27 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.05 -62.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t -116.54 155.61 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.8 tt -128.42 131.97 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.633 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.8 tp -70.08 112.16 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -66.98 123.46 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.08 9.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.71 -150.42 8.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -89.66 -38.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.753 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -50.83 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -46.97 -39.4 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -68.0 -43.57 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.88 95.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.02 28.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.583 HG23 HD13 ' A' ' 31' ' ' ILE . 16.7 mm -83.39 138.89 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -136.61 127.95 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.588 HG12 HG22 ' A' ' 31' ' ' ILE . 14.2 m -59.58 170.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -31.81 3.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -79.2 142.27 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -96.32 154.1 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -90.83 135.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.33 -20.2 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -155.94 153.35 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -150.0 135.09 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' ILE . 24.7 m120 37.15 33.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 80.24 38.56 18.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' ILE . 12.4 mm-40 -140.74 122.78 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -71.82 114.86 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.25 6.88 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.6 -20.73 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.12 -21.42 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.7 m -68.59 139.19 91.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.5 Cg_endo -69.77 139.65 40.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.831 ' HA ' HD12 ' A' ' 67' ' ' ILE . 73.0 t60 -42.7 -52.35 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -54.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -43.14 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.4 mt -47.18 -35.67 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.536 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -67.79 -39.47 81.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.9 mt -69.04 -67.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.26 -46.68 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -68.46 -35.59 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 mm-40 -66.23 -18.3 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.63 116.59 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.47 167.78 9.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.66 -119.24 16.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.44 118.38 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.49 111.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.558 ' HA ' HD13 ' A' ' 12' ' ' ILE . 13.5 m-70 -89.91 101.86 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mt -103.89 126.36 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.82 106.07 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -98.76 150.33 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 7.9 ttt -159.19 139.76 9.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.74 115.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.85 -38.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 91' ' ' LEU . 85.6 m -52.1 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.821 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.6 t80 -37.91 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -48.52 -44.99 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.75 -28.15 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.848 HD11 HG22 ' A' ' 87' ' ' THR . 9.5 mt -78.38 -48.28 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 57.5 p -69.85 -27.49 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.81 -66.45 2.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.857 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p 46.33 42.07 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -108.35 164.63 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.59 131.61 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -108.35 39.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.835 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 99.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.4 -57.06 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.3 t -106.05 145.52 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -97.0 139.61 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -124.14 146.53 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.36 140.26 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mm -113.16 145.15 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 45' ' ' ILE . 7.1 mm -120.97 153.79 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' O ' HG21 ' A' ' 39' ' ' ILE . 1.3 m80 -108.37 100.5 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.742 ' HD3' HG21 ' A' ' 78' ' ' VAL . 8.0 mtp-105 -115.5 86.71 15.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.85 32.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.404 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -127.9 139.07 52.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.04 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mtp180 -84.01 29.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 23.8 mm-40 -120.72 135.48 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -47.77 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 24' ' ' PHE . 8.2 mt -107.13 -47.16 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.43 -45.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.6 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.9 p90 -89.73 122.72 33.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -82.08 121.42 26.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.03 135.21 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -125.82 120.43 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.78 27.07 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.04 46.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.27 116.27 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.537 HG22 HG12 ' A' ' 47' ' ' VAL . 18.3 mt -62.89 140.39 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -124.01 -46.29 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -125.31 161.09 27.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.0 tt -135.08 136.56 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.7 tp -69.93 112.8 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -55.18 136.86 48.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.94 52.85 36.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.05 -153.77 9.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.9 mt -85.31 -47.19 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.63 -62.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.76 -42.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -74.03 -36.09 64.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -67.67 -45.8 73.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.78 28.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 13' ' ' ILE . 18.7 mm -80.43 134.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -128.8 116.22 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 31' ' ' ILE . 32.2 m -57.38 155.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.8 -35.93 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -77.68 140.58 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 7.6 ttm180 -90.44 145.61 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 48.6 mm -86.73 120.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.9 pt -107.45 -24.73 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -147.4 148.71 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -147.0 136.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' A' ' 74' ' ' ALA . 73.9 m-80 42.45 40.92 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.05 43.01 74.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -140.95 124.45 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -71.0 110.3 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.77 36.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 3.9 p -67.81 -22.04 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' THR . . . -116.9 -40.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.7 m -34.21 137.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.74 140.49 42.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' NE2' HD11 ' A' ' 68' ' ' ILE . 1.8 t60 -39.45 -54.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -37.94 -53.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.45 -47.51 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.95 -41.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' NE2' ' A' ' 64' ' ' HIS . 5.2 mm -62.69 -51.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.7 -33.7 48.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HB3' HD11 ' A' ' 54' ' ' ILE . 25.1 mt -69.46 -60.87 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.08 -47.18 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -55.6 -41.2 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.51 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 7.8 mt-10 -62.39 -24.56 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . . . -76.04 134.86 39.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 4.1 m-85 -120.02 168.95 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' ARG . . . 42.95 -107.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -72.82 106.84 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.742 HG21 ' HD3' ' A' ' 15' ' ' ARG . 63.9 t -111.02 102.3 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.66 142.55 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.3 mt -147.0 112.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.57 109.34 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 p -95.08 143.39 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.43 137.12 10.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.82 -44.0 38.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.17 -66.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.658 HG22 HD11 ' A' ' 91' ' ' LEU . 64.2 m -45.88 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.981 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -41.14 -61.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -48.68 -41.96 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.82 -21.36 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.981 HD12 ' HA ' ' A' ' 88' ' ' TYR . 17.2 mt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 t -71.27 0.83 7.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.88 -59.82 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 48.18 42.13 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.61 169.45 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.84 57.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -83.93 157.83 21.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -119.66 38.51 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.91 -39.45 0.82 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -94.7 126.65 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -81.11 114.73 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -107.53 142.85 36.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . -143.1 148.48 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -123.14 130.77 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.8 mm -111.24 159.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -126.34 101.23 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.943 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -111.92 88.94 10.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.77 31.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.282 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -123.41 142.8 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.16 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 80.0 mtt180 -83.87 29.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 17.0 mm-40 -120.89 137.93 54.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -50.34 167.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.9 mt -105.21 -38.38 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.22 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 48.1 p90 -85.79 133.84 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -98.29 119.29 36.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.95 135.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -130.43 123.69 30.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.09 25.41 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.71 19.11 53.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.66 120.39 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG22 HG12 ' A' ' 47' ' ' VAL . 13.1 mt -66.35 139.31 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.08 -47.22 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -123.87 160.08 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.1 tt -138.55 132.33 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.9 tp -66.66 126.69 29.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -80.43 116.92 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.99 45.15 5.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.49 -141.13 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.08 -46.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -46.76 -64.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.26 -48.75 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.93 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.73 -44.71 97.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.436 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 131.83 27.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD11 HD11 ' A' ' 13' ' ' ILE . 45.7 mm -83.03 136.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.23 113.6 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 31' ' ' ILE . 7.2 m -56.21 149.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.81 -19.58 51.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -95.02 136.94 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 10.2 ttt180 -89.1 144.63 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 82' ' ' THR . 7.3 mm -82.44 133.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.3 pt -118.88 -14.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.08 152.58 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -146.73 140.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ILE . 66.1 m-80 35.66 31.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.75 41.99 14.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.2 mm100 -142.57 125.02 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 t -61.4 123.02 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.37 -6.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.04 -31.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.06 25.75 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 63' ' ' PRO . 81.7 m -110.77 139.31 21.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.569 0.699 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.6 Cg_endo -69.82 143.67 51.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.229 . . . . 0.0 112.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.724 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.1 t60 -42.96 -52.41 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -59.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.63 -50.23 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 64' ' ' HIS . 77.1 mt -49.17 -50.5 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.724 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.6 mm -57.29 -44.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -46.24 90.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD13 HD11 ' A' ' 54' ' ' ILE . 30.4 mt -59.22 -68.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.83 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -56.41 -37.21 69.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.84 -15.74 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.68 116.72 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -107.05 163.94 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.44 -122.98 24.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.34 123.49 23.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.943 HG21 ' NE ' ' A' ' 15' ' ' ARG . 55.8 t -130.59 109.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -86.06 118.36 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.45 112.01 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 81' ' ' LYS . 2.6 ttmp? -88.63 106.57 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.424 HG22 HD13 ' A' ' 51' ' ' ILE . 1.7 p -95.37 153.08 17.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -151.22 137.13 11.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.77 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.44 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -49.59 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.6 t80 -39.69 -56.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -54.64 -47.6 73.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 90' ' ' LEU . 13.2 mt -62.71 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 88' ' ' TYR . 43.2 mt -71.53 -56.03 6.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -70.34 -3.07 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.15 169.32 38.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -57.12 98.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 m -64.6 -55.36 20.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.18 -102.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -87.12 118.59 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -65.7 159.31 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.54 -77.74 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 81' ' ' LYS . 45.3 t -106.45 138.15 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -84.12 140.16 31.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -125.64 128.47 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 149.8 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -121.31 130.42 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 40' ' ' ALA . 26.4 mm -109.24 148.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.5 m80 -108.72 100.9 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.672 ' NH2' HG11 ' A' ' 78' ' ' VAL . 24.2 mtt180 -114.67 88.84 17.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.05 21.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 3.6 t-80 -120.46 150.2 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.96 -33.39 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -83.9 29.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 10.3 mm-40 -121.14 132.72 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.32 168.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.9 mt -102.6 -45.31 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.76 -49.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 45.6 p90 -88.23 120.02 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -83.36 118.6 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.4 t -107.86 145.69 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -142.99 118.27 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.32 26.63 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.86 21.79 51.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 70.2 mt -140.95 121.01 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD13 HG23 ' A' ' 45' ' ' ILE . 12.7 mt -67.8 140.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.75 -42.86 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -132.09 156.7 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 45' ' ' ILE . 2.5 tt -130.75 135.92 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' HA3' ' A' ' 38' ' ' GLY . 5.7 tp -67.54 110.44 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -66.63 113.41 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.9 42.54 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.571 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -122.84 -142.91 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.45 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.3 mt -98.63 -42.32 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.69 -58.94 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -43.24 -39.62 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -77.65 -28.02 51.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.02 -38.31 40.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.55 23.64 1.49 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 13' ' ' ILE . 36.5 mm -79.95 136.66 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -135.1 125.28 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.65 151.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.57 -25.55 20.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -77.11 150.52 35.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.27 135.5 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 82' ' ' THR . 9.3 mm -84.74 119.28 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -105.74 -25.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -146.53 149.1 32.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.0 pp -146.99 146.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.631 HD21 HG13 ' A' ' 78' ' ' VAL . 27.0 m120 34.55 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.45 48.48 77.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -150.38 119.41 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -65.31 122.05 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.04 10.42 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.4 -21.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.22 -29.34 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.597 HG23 ' HD2' ' A' ' 63' ' ' PRO . 90.7 m -53.55 138.05 51.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.688 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.72 152.82 69.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.782 ' NE2' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -53.41 -53.66 48.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.17 -42.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -79.35 -40.59 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -55.81 -32.48 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.782 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.4 mm -68.63 -34.86 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -72.65 -31.03 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 54' ' ' ILE . 70.0 mt -74.98 -61.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -49.23 -52.96 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.6 m -59.1 -37.38 77.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 42.9 mt-10 -64.05 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -88.14 117.91 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -104.24 171.14 7.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.67 -108.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -79.68 133.34 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG11 ' NH2' ' A' ' 15' ' ' ARG . 62.1 t -131.45 106.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -83.62 106.14 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.588 HD11 ' NH2' ' A' ' 15' ' ' ARG . 71.9 mt -111.29 123.84 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HG2' HG11 ' A' ' 8' ' ' VAL . 20.9 ttmt -96.32 108.37 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 51' ' ' ILE . 50.7 p -96.45 141.95 29.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.53 136.15 11.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.61 -41.28 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.06 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.732 HG22 HD11 ' A' ' 91' ' ' LEU . 27.2 m -54.46 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.9 t80 -36.74 -60.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -52.19 -46.52 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.87 -22.95 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 88' ' ' TYR . 15.1 mt -81.02 -38.52 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.3 p -93.9 21.93 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.53 -175.5 37.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -123.55 155.33 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -128.43 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.8 83.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -99.72 149.04 23.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -73.09 140.31 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.28 -92.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' A' ' 83' ' ' MET . 47.8 t -70.73 143.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 111.091 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -111.41 114.76 28.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 m -96.25 139.11 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mm -117.89 131.08 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.728 HG21 ' CD2' ' A' ' 22' ' ' LEU . 43.6 mm -107.19 125.63 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' O ' HG21 ' A' ' 39' ' ' ILE . 18.1 m-70 -83.34 101.86 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 22' ' ' LEU . 12.6 mtp180 -109.73 79.83 1.51 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -158.7 153.6 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -86.5 -59.21 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -34.76 -32.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 26.6 mm-40 -79.4 142.18 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.27 -174.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.79 HD22 ' HE1' ' A' ' 24' ' ' PHE . 6.9 mt -103.86 -41.7 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 -42.16 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.79 ' HE1' HD22 ' A' ' 22' ' ' LEU . 51.2 p90 -87.19 140.92 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.3 t -107.39 127.04 53.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.37 136.99 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -126.25 114.3 18.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.73 27.81 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.42 41.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -141.12 115.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 45' ' ' ILE . 20.6 mt -59.57 140.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' O ' HG11 ' A' ' 47' ' ' VAL . 4.8 t -121.06 -62.05 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -111.78 156.31 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.9 tt -132.79 133.15 43.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.8 tp -68.3 118.94 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -74.33 120.01 19.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 36.36 8.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.48 -140.02 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.5 mt -99.17 -51.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -40.19 -65.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -41.57 -34.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -82.13 -32.84 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -71.65 -44.21 49.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.95 26.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 13' ' ' ILE . 30.0 mm -85.72 132.16 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -133.02 117.24 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' ILE . 21.2 m -47.77 170.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -37.62 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.81 152.42 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 23.3 ttt180 -108.89 148.44 30.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 59' ' ' VAL . 35.5 mm -88.12 131.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 HD13 ' SD ' ' A' ' 83' ' ' MET . 40.1 pt -121.05 -17.32 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.27 154.36 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.631 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.4 pp -152.66 124.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.402 HD21 HG13 ' A' ' 78' ' ' VAL . 21.5 m120 51.96 26.93 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 18.66 58.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -119.03 121.63 40.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -63.89 114.22 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 51' ' ' ILE . 35.7 m -104.49 -15.81 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.29 -33.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.73 -32.26 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.9 m -48.6 138.87 11.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.0 Cg_endo -69.8 142.49 47.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.595 ' HA ' HD12 ' A' ' 67' ' ' ILE . 38.3 t60 -38.38 -57.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.99 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -55.41 -55.6 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 64' ' ' HIS . 93.4 mt -37.62 -33.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mm -79.19 -53.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -57.2 -50.29 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.6 mt -55.37 -66.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -45.32 -53.29 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.5 m -56.58 -45.43 81.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 37.5 mt-10 -60.81 -29.7 69.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.0 119.56 16.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 10.3 m-85 -111.92 171.42 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.45 -122.95 31.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -75.47 110.19 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 55' ' ' ASN . 60.2 t -112.57 112.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.96 116.64 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.13 111.41 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -84.9 110.68 19.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -99.8 148.98 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.478 ' SD ' HG22 ' A' ' 8' ' ' VAL . 8.0 ttt -159.11 140.54 9.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 122.68 9.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.99 -46.17 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.78 -67.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.814 HG22 HD11 ' A' ' 91' ' ' LEU . 35.0 m -50.73 -71.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.86 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.5 t80 -37.66 -64.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -44.98 -44.5 9.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 90' ' ' LEU . 17.3 mt -67.08 -31.48 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.6 mt -75.09 -33.33 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.1 p -94.24 11.08 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.4 130.03 4.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.86 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -117.64 96.52 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 118.99 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.76 106.95 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -119.4 125.0 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.386 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -123.01 154.51 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.54 -113.78 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' A' ' 81' ' ' LYS . 50.3 t -79.47 124.21 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -79.71 117.43 20.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.1 m -96.92 144.0 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.49 128.87 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.0 141.11 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.45 HG21 HD22 ' A' ' 22' ' ' LEU . 46.7 mm -116.67 135.67 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -100.76 104.45 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.669 ' CG ' HD21 ' A' ' 22' ' ' LEU . 30.2 mtp180 -107.73 80.04 0.92 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.25 9.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.29 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 7.5 t-80 -161.48 142.63 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' ARG . . . -93.27 -52.48 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 24.6 mmm-85 -34.35 -38.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ALA . 2.5 pp20? -91.14 139.81 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.3 -174.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.961 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 mt -103.27 -43.58 5.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.78 -29.53 5.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.961 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 55.0 p90 -92.8 123.74 36.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.15 123.87 34.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.17 138.94 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -131.14 119.47 21.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 52.62 26.77 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.72 18.46 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -136.0 116.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.551 HD13 ' CG2' ' A' ' 45' ' ' ILE . 27.1 mt -62.92 137.75 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.14 -54.18 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -122.64 157.99 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.7 tt -132.97 136.89 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 34' ' ' LEU . 17.4 tp -66.46 142.6 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -83.0 127.44 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.78 47.67 73.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 -146.56 7.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.5 mt -95.1 -54.75 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -34.77 -57.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.32 -44.18 79.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 62.8 mtp85 -58.58 -51.76 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.23 -44.24 97.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.25 31.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 31' ' ' ILE . 33.3 mm -81.52 138.35 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -135.85 113.54 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 31' ' ' ILE . 20.3 m -50.87 153.8 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.61 -35.24 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -73.34 152.83 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -107.24 136.73 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.6 mm -79.14 137.34 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -123.53 -20.32 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -151.74 153.03 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.512 HD12 ' C ' ' A' ' 54' ' ' ILE . 1.6 pp -153.11 137.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.701 HD21 HG13 ' A' ' 78' ' ' VAL . 36.2 m120 46.53 29.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.79 39.4 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -141.45 128.98 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.7 p -69.21 119.81 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 m -130.46 25.06 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.446 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 2.7 p -61.63 -33.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.25 -37.1 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 63' ' ' PRO . 86.1 m -40.87 138.33 1.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.3 Cg_endo -69.81 145.39 56.74 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.989 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.0 t60 -44.66 -53.64 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.6 -54.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -66.52 -44.33 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 64' ' ' HIS . 21.0 mt -50.61 -43.35 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.989 HD11 ' CE1' ' A' ' 64' ' ' HIS . 29.5 mm -62.75 -49.54 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.93 -34.7 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.09 -67.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' O ' ' NH1' ' A' ' 15' ' ' ARG . 23.0 mt -41.46 -43.35 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.4 m -66.53 -46.64 75.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.78 -14.73 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.98 120.57 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.77 162.95 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.47 -121.13 9.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.48 114.74 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.701 HG13 HD21 ' A' ' 55' ' ' ASN . 21.3 t -123.7 104.77 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.22 101.55 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.427 HD12 HG13 ' A' ' 13' ' ' ILE . 70.6 mt -103.91 120.79 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HG2' HG11 ' A' ' 8' ' ' VAL . 7.7 ttmm -96.4 109.13 21.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -96.29 145.39 25.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.412 ' HE3' HG22 ' A' ' 8' ' ' VAL . 3.4 ttt -155.26 136.02 8.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.41 -46.21 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.769 HG22 HD11 ' A' ' 91' ' ' LEU . 52.0 m -44.54 -58.37 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.997 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -46.83 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -45.43 -37.76 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.36 -31.73 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.997 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt -69.0 -43.4 74.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.5 p -89.04 23.45 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.98 115.92 8.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -115.45 110.64 19.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -91.78 124.28 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.31 -53.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -165.21 174.12 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -62.57 174.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.04 -45.77 5.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 81' ' ' LYS . 58.9 t -105.44 141.86 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -77.36 106.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 m -98.16 121.98 40.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.74 137.14 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.55 136.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 40' ' ' ALA . 20.9 mm -115.13 146.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -109.12 100.23 9.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.595 ' HD2' HG21 ' A' ' 78' ' ' VAL . 86.6 mtt180 -113.92 91.09 20.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -35.1 13.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 3.8 t-80 -118.3 149.98 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.83 -31.42 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 73.1 mtt180 -83.93 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.06 135.94 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -50.81 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.7 mt -106.46 -57.62 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.85 -40.28 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 46.0 p90 -98.3 140.98 31.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.44 124.82 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.55 129.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -127.25 110.17 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.99 32.79 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.86 17.54 74.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.774 HD11 ' HE ' ' A' ' 50' ' ' ARG . 96.2 mt -137.71 113.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.573 HD13 ' CG2' ' A' ' 45' ' ' ILE . 10.9 mt -61.64 143.79 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.97 -46.52 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -119.47 156.72 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -141.85 129.81 21.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 34' ' ' LEU . 11.9 tp -66.83 102.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -63.42 119.84 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.16 43.78 5.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.99 -142.51 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.453 HG22 HG23 ' A' ' 13' ' ' ILE . 27.4 mt -88.64 -51.65 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.68 -67.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.03 -41.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -69.03 -36.23 77.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -68.78 -48.27 50.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.19 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.573 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.1 mm -88.48 135.39 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -126.42 119.73 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.19 145.47 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.46 -28.6 14.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.39 135.21 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.774 ' HE ' HD11 ' A' ' 30' ' ' ILE . 5.6 tpp85 -89.16 134.62 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.51 HD13 HG22 ' A' ' 82' ' ' THR . 8.8 mm -78.53 141.94 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.0 pt -123.9 -24.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -154.86 139.04 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.1 pp -133.33 133.04 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 45.61 33.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.33 42.91 33.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -145.39 118.49 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 124.48 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ALA . 34.9 m -118.77 -12.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -42.7 -24.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -116.77 -41.71 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 63' ' ' PRO . 87.2 m -40.16 139.2 1.05 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.72 139.84 41.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.479 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.7 t60 -38.71 -51.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.11 -67.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.7 tpp85 -50.28 -54.0 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 64' ' ' HIS . 81.2 mt -42.94 -42.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -66.52 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -41.86 71.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 54' ' ' ILE . 95.8 mt -65.03 -61.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.47 -51.53 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.53 -48.38 81.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.6 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.4 mm-40 -57.05 -32.36 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.76 117.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.48 172.83 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.17 -117.33 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.53 119.05 16.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 ' HD2' ' A' ' 15' ' ' ARG . 45.6 t -121.86 97.91 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.81 115.43 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.07 113.94 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 8' ' ' VAL . 16.3 ttmt -86.99 105.94 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 51' ' ' ILE . 6.9 p -97.22 146.13 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 13.4 ttt -151.9 139.25 12.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.691 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.73 114.84 3.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.18 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.8 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.742 HG22 HD11 ' A' ' 91' ' ' LEU . 27.9 m -50.88 -59.48 4.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.846 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.5 t80 -43.42 -59.54 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -49.67 -49.41 47.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.56 -40.0 77.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 88' ' ' TYR . 5.5 mt -67.36 -41.8 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -70.86 -31.46 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.45 -139.56 10.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.365 . . . . 0.0 110.963 -179.856 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -117.61 126.83 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 39.46 43.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 -118.5 0.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.1 p -172.86 148.07 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 36.7 p 36.0 37.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.28 -59.7 10.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 ' HD3' ' A' ' 81' ' ' LYS . 52.2 t -97.66 140.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.5 m -99.66 132.33 45.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -116.36 139.1 50.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.49 146.1 50.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.8 128.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.651 HD11 ' CG1' ' A' ' 45' ' ' ILE . 4.1 mm -112.11 159.68 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.681 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.0 m80 -116.38 102.58 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.585 ' CD ' HG21 ' A' ' 78' ' ' VAL . 6.0 mtp-105 -112.84 86.48 8.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.28 22.79 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -121.59 147.42 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.57 -34.86 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -83.32 26.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 61.9 mm-40 -121.78 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -60.61 173.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.706 HD22 ' HE1' ' A' ' 24' ' ' PHE . 5.5 mt -105.85 -54.97 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.62 -37.69 2.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.706 ' HE1' HD22 ' A' ' 22' ' ' LEU . 47.0 p90 -92.21 132.73 36.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.6 t -97.95 130.73 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -107.51 138.64 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -136.64 105.25 5.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t0 71.85 27.33 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.71 68.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.75 123.59 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.553 HD13 ' CG2' ' A' ' 45' ' ' ILE . 13.0 mt -66.01 141.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.77 -58.63 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -111.74 157.65 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -134.37 132.89 39.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.42 146.37 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -83.26 145.75 28.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.97 44.98 19.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.68 -168.5 18.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.681 HG21 ' O ' ' A' ' 14' ' ' HIS . 3.1 mt -77.6 -40.54 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -55.05 -69.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ALA . 37.8 tt0 -36.79 -39.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -69.63 -48.23 60.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -56.29 -44.75 89.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.96 26.32 0.85 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.651 ' CG1' HD11 ' A' ' 13' ' ' ILE . 14.7 mm -78.22 133.13 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -128.22 118.22 22.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -53.02 166.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 -34.61 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -72.41 143.85 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -99.43 146.84 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -90.81 130.29 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' C ' HG22 ' A' ' 59' ' ' VAL . 34.9 pt -113.92 -21.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -159.28 145.63 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 55' ' ' ASN . 1.2 pp -141.43 128.43 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.613 ' HB2' HD12 ' A' ' 54' ' ' ILE . 30.1 m120 54.76 29.37 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.54 21.84 63.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -120.63 121.01 37.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 m -62.47 115.34 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG22 ' C ' ' A' ' 52' ' ' ILE . 35.6 m -107.09 -13.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -45.35 -24.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.52 -33.52 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 63' ' ' PRO . 83.7 m -49.59 139.22 15.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.81 141.41 44.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.653 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.9 t60 -36.98 -51.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.89 -66.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ILE . 20.2 mmt-85 -52.4 -54.35 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 64' ' ' HIS . 95.1 mt -38.07 -34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.95 -52.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.55 -48.53 79.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.6 mt -55.35 -63.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.2 -51.49 25.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.7 m -56.64 -47.61 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.1 mt-10 -55.75 -35.54 66.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 15' ' ' ARG . . . -56.77 120.87 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -110.21 170.22 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.43 -119.32 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -72.7 116.69 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.585 HG21 ' CD ' ' A' ' 15' ' ' ARG . 59.5 t -116.29 128.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -100.13 129.48 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -134.27 118.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HD3' HG11 ' A' ' 8' ' ' VAL . 15.3 ttmt -94.78 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 p -94.74 149.18 21.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -153.28 137.09 10.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.31 -41.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.85 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 91' ' ' LEU . 5.3 m -53.8 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.9 t80 -41.73 -67.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 mtm105 -48.11 -42.8 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.84 -36.04 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 88' ' ' TYR . 11.7 mt -70.36 -44.2 68.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.6 p -69.8 -23.04 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -115.64 -147.49 9.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.907 -179.861 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -83.82 126.42 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -54.45 -59.16 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.55 106.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -112.75 96.64 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -132.06 158.99 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.75 -80.11 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t -100.39 127.45 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.9 m -79.84 115.73 19.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.4 m -107.65 133.06 52.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.52 140.62 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -112.37 136.36 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 40' ' ' ALA . 44.6 mm -112.16 140.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -108.53 101.47 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 12.5 mtm105 -110.71 81.7 2.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.635 0.731 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -10.28 28.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.1 t-80 -136.68 148.11 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.42 -32.89 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 44.4 mtp85 -84.02 29.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 132.6 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.1 178.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.1 mt -107.56 -45.97 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 -43.47 1.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 34.7 p90 -91.84 138.71 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.0 t -104.39 119.25 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -101.02 132.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -125.25 114.04 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 57.2 28.81 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.19 19.04 56.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.93 118.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 51' ' ' ILE . 10.1 mt -64.79 138.48 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.77 -47.63 2.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.38 151.89 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.6 tt -133.09 131.15 40.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 34' ' ' LEU . 15.5 tp -70.64 111.35 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -71.59 114.11 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.7 37.57 4.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.91 -137.56 4.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.439 HG22 HG23 ' A' ' 13' ' ' ILE . 5.2 mt -96.72 -41.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -56.05 -66.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' N ' HD21 ' A' ' 34' ' ' LEU . 10.3 tm-20 -45.83 -41.66 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.18 86.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.59 29.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -87.61 141.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -132.45 122.54 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.2 158.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.78 -19.46 20.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -84.96 137.58 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -97.01 138.81 33.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 31' ' ' ILE . 16.7 mm -78.86 139.66 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -123.96 -15.72 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -162.58 146.64 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.6 pp -144.19 124.92 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 m120 51.65 26.77 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.5 20.97 53.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -117.6 120.94 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -67.23 109.58 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -105.06 -1.45 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.2 -26.27 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.56 15.99 10.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 92.1 m -101.24 138.48 19.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 111.131 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.75 141.41 45.19 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.515 ' NE2' HD11 ' A' ' 68' ' ' ILE . 6.9 t60 -39.32 -55.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.89 -63.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -55.01 -48.48 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.8 mt -47.16 -40.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 64' ' ' HIS . 23.3 mm -66.74 -34.12 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.57 -29.65 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 54' ' ' ILE . 35.2 mt -77.8 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.52 -44.17 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -67.07 -41.21 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.89 -12.48 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.39 112.53 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 2.9 m-85 -106.29 167.95 9.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.43 -118.45 14.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.8 98.98 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.59 108.68 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.47 119.17 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.68 119.79 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -90.78 109.12 20.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -99.16 147.5 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.96 137.06 9.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.97 6.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.28 -42.89 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.984 HG22 HD11 ' A' ' 91' ' ' LEU . 44.9 m -50.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -38.12 -63.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -48.12 -42.9 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.08 -33.15 75.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.984 HD11 HG22 ' A' ' 87' ' ' THR . 5.0 mt -77.48 -30.08 52.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.3 p -91.99 18.36 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.94 172.68 16.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.883 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -126.77 87.3 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.8 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 p -134.44 118.47 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.87 131.55 2.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -64.88 130.96 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -144.64 136.51 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.84 -54.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.845 HG11 HD11 ' A' ' 52' ' ' ILE . 45.9 t -78.92 139.09 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.9 m -93.21 125.61 37.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -111.74 138.72 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 79' ' ' HIS . 38.9 mm -114.47 139.85 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 14' ' ' HIS . 6.7 mm -117.7 160.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.554 ' N ' HG22 ' A' ' 13' ' ' ILE . 19.6 m-70 -118.36 101.44 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -110.75 84.23 4.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -18.0 37.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 t-80 -126.42 154.22 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.41 -36.63 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -83.9 28.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.4 mm-40 -122.64 139.35 54.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -68.86 -177.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.705 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.7 mt -110.62 -36.76 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.26 -35.83 4.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 51.2 p90 -97.61 142.8 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.66 131.0 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.57 126.19 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -118.12 109.92 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 62.41 32.38 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.7 63.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 49' ' ' HIS . 1.3 mt -137.03 114.36 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 47' ' ' VAL . 18.2 mt -62.79 138.73 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.81 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -108.19 156.78 18.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.1 tt -140.77 129.02 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 34' ' ' LEU . 13.9 tp -68.44 98.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -62.68 94.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.57 -28.74 4.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -61.02 -148.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.2 mt -87.51 -32.23 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB2' ' HD1' ' A' ' 24' ' ' PHE . . . -55.34 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' HD21 ' A' ' 34' ' ' LEU . 13.4 tt0 -45.7 -50.03 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.38 -33.33 72.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.09 -44.43 23.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.22 40.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 13' ' ' ILE . 33.5 mm -89.5 143.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -130.83 119.88 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 31' ' ' ILE . 33.4 m -68.15 158.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.49 84.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' ILE . 8.9 m170 -92.18 171.1 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -119.38 141.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 80' ' ' ILE . 48.3 mm -89.55 118.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG11 ' A' ' 8' ' ' VAL . 22.0 pt -106.22 -28.36 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -149.61 151.9 34.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.2 pp -148.22 144.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 38.02 36.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.04 38.67 55.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' ILE . 73.8 mt-30 -139.0 123.09 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 111.19 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.73 10.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -44.47 -43.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.96 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.652 HG23 ' HD2' ' A' ' 63' ' ' PRO . 99.0 m -44.24 138.79 3.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.76 141.8 46.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 64' ' ' HIS . 2.4 t60 -41.32 -55.37 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.81 -58.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.18 -50.93 71.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 64' ' ' HIS . 69.9 mt -44.59 -43.47 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 64' ' ' HIS . 45.8 mm -60.91 -52.85 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.77 -38.62 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' A' ' 54' ' ' ILE . 95.1 mt -67.64 -64.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -42.37 -42.68 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.2 m -70.92 -41.03 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.39 -12.6 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.05 117.17 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 4.5 m-85 -108.24 170.13 8.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.57 -112.85 2.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.25 91.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.13 102.39 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CG ' HD12 ' A' ' 12' ' ' ILE . 6.6 m170 -79.04 137.88 37.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 51' ' ' ILE . 60.9 mt -136.81 115.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.442 ' HZ2' ' CG1' ' A' ' 8' ' ' VAL . 3.5 tptp -85.19 112.78 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -105.33 147.07 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.11 137.16 9.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.534 0.683 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.86 -41.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.55 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.538 HG22 HD11 ' A' ' 91' ' ' LEU . 89.1 m -40.1 -64.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.995 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -43.5 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -42.69 -41.72 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.4 -29.54 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.995 HD12 ' HA ' ' A' ' 88' ' ' TYR . 26.4 mt -68.26 -46.06 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 t -99.53 23.7 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.89 125.19 27.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.864 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -171.59 120.74 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -66.69 -51.73 52.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -73.2 0.24 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -51.29 145.42 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -129.96 122.68 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.72 -53.15 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 81' ' ' LYS . 4.9 t -123.87 143.37 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -91.68 126.23 36.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 11' ' ' ALA . 49.0 m -120.12 156.96 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 10' ' ' THR . . . -137.79 162.65 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mm -123.45 118.39 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 45' ' ' ILE . 17.3 mm -102.67 144.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -114.45 103.03 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' NH1' ' HB ' ' A' ' 13' ' ' ILE . 37.5 mtt85 -107.19 84.59 1.73 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 -32.83 18.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -128.08 150.39 49.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.39 -31.34 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -83.26 26.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 6.1 mm-40 -122.16 131.5 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -49.58 174.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.2 mt -109.02 -61.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 124.24 -47.07 1.04 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 42.8 p90 -85.81 135.73 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -103.6 125.18 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.68 139.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -134.55 112.84 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.0 27.83 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.02 56.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.488 HD11 ' HE ' ' A' ' 50' ' ' ARG . 86.1 mt -139.54 118.45 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' CG2' ' A' ' 45' ' ' ILE . 14.9 mt -64.58 138.53 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.3 m -116.18 -49.23 2.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -125.81 155.28 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -132.66 127.19 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' CA ' ' A' ' 23' ' ' GLY . 9.2 tp -66.83 102.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.96 115.87 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.26 30.89 6.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.99 -151.25 8.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 6.8 mt -86.52 -57.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -34.78 -62.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -43.57 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -54.7 -42.71 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.64 -43.69 98.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.1 28.39 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.2 mm -82.28 133.5 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -126.43 123.25 37.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.53 140.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.67 37.5 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.78 138.54 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HE ' HD11 ' A' ' 30' ' ' ILE . 2.1 tpp85 -89.63 135.6 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG22 ' A' ' 82' ' ' THR . 37.7 mm -82.13 132.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.89 -11.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -156.57 148.44 22.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.547 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.2 pp -149.33 135.71 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 38.18 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 82.46 38.13 13.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.7 mm-40 -140.93 124.6 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.4 p -67.92 120.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.84 20.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 88' ' ' TYR . 2.1 p -57.95 -28.29 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.98 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HD2' ' A' ' 63' ' ' PRO . 94.3 m -43.56 139.01 2.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.73 158.13 58.05 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.812 ' CE1' HD11 ' A' ' 68' ' ' ILE . 2.2 t-80 -52.98 -55.1 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.62 -59.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -61.56 -37.05 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 64' ' ' HIS . 57.8 mt -61.24 -30.94 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.812 HD11 ' CE1' ' A' ' 64' ' ' HIS . 28.3 mm -71.44 -47.63 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.33 -36.28 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 54' ' ' ILE . 12.5 mt -67.04 -68.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.47 -47.6 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.9 m -65.45 -39.84 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.1 mt-10 -60.55 -23.22 64.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.38 118.86 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -112.77 167.42 10.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.52 -124.34 8.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -80.53 110.37 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -117.59 129.24 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' CD1' ' A' ' 12' ' ' ILE . 11.0 m-70 -102.23 113.12 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.451 HD12 HG13 ' A' ' 13' ' ' ILE . 23.1 mt -112.4 121.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' A' ' 8' ' ' VAL . 14.1 ttmt -95.12 107.93 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 51' ' ' ILE . 45.3 p -96.36 144.75 26.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -149.56 137.08 11.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 116.54 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -37.87 -38.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.23 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.4 m -41.64 -66.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.642 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -40.35 -62.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -47.26 -38.95 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.13 -29.34 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 88' ' ' TYR . 69.4 mt -69.75 -46.38 66.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -86.21 21.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.96 -129.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.919 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 p -60.63 127.26 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -58.68 126.78 29.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.25 117.25 1.97 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -66.94 101.49 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 p -56.19 -55.38 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.86 -92.42 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG11 ' HE2' ' A' ' 81' ' ' LYS . 93.3 t -78.9 139.5 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -87.97 112.48 22.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 m -103.91 137.71 41.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.68 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mt -111.57 141.39 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.806 HG21 ' CD2' ' A' ' 22' ' ' LEU . 24.4 mm -116.27 128.95 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.549 ' O ' HG21 ' A' ' 39' ' ' ILE . 5.9 m80 -84.41 104.74 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -116.74 78.87 9.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.23 13.64 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.651 ' CE1' ' NH2' ' A' ' 19' ' ' ARG . 8.0 t-80 -157.37 157.99 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -90.82 -61.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' A' ' 17' ' ' HIS . 25.2 mtm105 -34.79 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 18' ' ' ALA . 52.4 mm-40 -77.51 136.56 38.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -72.88 -174.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.806 ' CD2' HG21 ' A' ' 13' ' ' ILE . 6.2 mt -106.33 -56.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.34 -32.96 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.714 ' HE2' HD22 ' A' ' 22' ' ' LEU . 50.8 p90 -95.49 140.71 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -107.83 127.47 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -103.33 129.65 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -120.7 110.88 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.76 27.41 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.44 20.07 52.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.458 HG12 ' CG ' ' A' ' 50' ' ' ARG . 36.8 mt -142.04 118.68 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.414 HG22 HG12 ' A' ' 47' ' ' VAL . 20.2 mt -57.94 142.39 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -120.31 -57.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.2 p -121.04 149.87 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.5 tt -124.86 137.2 54.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.7 tp -71.16 114.19 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -77.63 100.01 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.87 40.49 0.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.96 -144.77 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 ' O ' ' A' ' 14' ' ' HIS . 10.2 mt -87.63 -47.97 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -39.85 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.35 -47.42 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -59.13 -34.1 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.97 -44.97 17.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.74 22.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.751 ' CG1' HD11 ' A' ' 13' ' ' ILE . 32.5 mm -70.14 129.23 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -125.55 110.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 31' ' ' ILE . 10.3 m -54.11 164.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.92 -31.86 5.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.78 153.36 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.8 tmm_? -108.27 128.53 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mm -67.66 135.06 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.75 -21.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -153.98 158.1 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.647 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.0 pp -150.54 129.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 45.7 32.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.93 28.68 40.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.72 126.13 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -70.94 118.88 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 20.4 m -109.21 -20.0 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' OH ' ' A' ' 88' ' ' TYR . 2.5 p -35.86 -31.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -107.88 -25.47 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.4 m -56.83 138.97 78.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.578 0.704 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.71 139.91 41.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.853 ' HA ' HD12 ' A' ' 67' ' ' ILE . 35.5 t60 -38.24 -59.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.83 -60.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -56.51 -48.05 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 64' ' ' HIS . 76.0 mt -46.36 -48.04 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.52 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.81 -42.06 97.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.09 -68.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt -41.74 -38.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.8 m -72.77 -46.89 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 8.4 mt-10 -61.64 -27.57 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.87 114.48 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 5.8 m-85 -107.43 168.88 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.16 -127.64 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -74.68 109.13 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.419 HG12 HG13 ' A' ' 80' ' ' ILE . 59.7 t -107.52 103.79 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -80.63 102.56 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.419 HG13 HG12 ' A' ' 78' ' ' VAL . 97.6 mt -102.24 113.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.529 ' HE2' HG11 ' A' ' 8' ' ' VAL . 16.6 tttt -87.08 106.11 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -97.78 131.83 43.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.64 137.12 22.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.228 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.31 -42.25 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.97 -66.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -47.74 -63.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.39 -62.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -47.99 -40.14 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.12 -21.98 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 88' ' ' TYR . 48.3 mt -77.71 -41.4 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.1 p -78.9 2.54 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.35 143.05 20.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -84.6 129.4 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -120.39 125.57 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.6 155.73 29.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -124.43 116.67 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG23 ' CG2' ' A' ' 39' ' ' ILE . 25.1 mm -94.48 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -102.12 100.16 10.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HD2' HD21 ' A' ' 22' ' ' LEU . 58.4 mtp180 -107.58 82.81 1.39 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.92 29.19 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -125.86 154.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 -32.39 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mtt85 -83.97 29.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.3 mm-40 -118.63 140.84 49.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.06 -179.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.9 mt -109.87 -39.27 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.48 -46.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.844 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.6 p90 -88.77 132.2 34.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 t -99.99 122.1 42.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -103.36 137.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -132.27 113.42 13.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.44 33.17 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.82 17.49 72.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.53 118.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.707 HD13 HG23 ' A' ' 45' ' ' ILE . 14.8 mt -62.61 139.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 1.8 t -118.97 -59.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -112.83 157.09 21.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.1 tt -134.82 132.58 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 120.69 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -66.95 127.45 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.22 47.51 44.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.3 -146.0 6.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 13' ' ' ILE . 17.0 mt -92.62 -52.68 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.91 -60.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -50.6 -42.17 55.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ILE . 84.3 mtt180 -64.55 -50.92 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.94 73.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 30.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.707 HG23 HD13 ' A' ' 31' ' ' ILE . 29.9 mm -87.85 132.15 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.12 123.24 22.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 20.6 m -53.23 154.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.97 -32.53 6.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.1 142.63 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -98.33 151.39 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.04 132.47 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.407 HD13 ' SD ' ' A' ' 83' ' ' MET . 30.8 pt -123.4 -15.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -161.37 147.59 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.487 ' C ' HD12 ' A' ' 54' ' ' ILE . 2.0 pp -147.39 140.61 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 54' ' ' ILE . 35.4 m120 43.05 30.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.82 39.48 24.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -64.5 115.37 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.16 14.4 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.31 -36.59 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.12 18.87 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 75.9 m -97.19 138.42 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.82 133.98 26.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.749 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.7 t60 -36.22 -54.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.63 -58.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.07 -50.97 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 64' ' ' HIS . 72.9 mt -42.53 -41.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.749 HD11 ' CE1' ' A' ' 64' ' ' HIS . 25.1 mm -64.69 -46.63 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.29 -35.56 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 54' ' ' ILE . 18.6 mt -70.02 -67.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HG12 ' A' ' 80' ' ' ILE . 13.1 mt -42.73 -44.44 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -59.83 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.71 -29.51 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 113.32 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.95 168.18 10.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.86 -111.41 4.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -82.66 96.46 8.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.47 124.54 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -101.67 107.77 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.491 HG12 HD21 ' A' ' 71' ' ' LEU . 35.3 mt -109.04 114.01 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -89.08 108.17 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -98.95 149.97 22.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.565 ' HE3' HG22 ' A' ' 8' ' ' VAL . 12.2 ttt -155.88 139.56 11.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.77 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.76 -41.45 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.661 HG22 HD11 ' A' ' 91' ' ' LEU . 4.1 m -54.52 -58.83 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.0 t80 -42.67 -61.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -55.55 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.44 -37.8 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.92 0.39 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.7 m -92.62 119.22 31.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 m -102.61 146.56 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.89 37.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -123.98 136.18 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 40' ' ' ALA . 10.7 mm -116.86 147.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.51 ' O ' HG21 ' A' ' 39' ' ' ILE . 13.6 m-70 -104.1 101.83 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 9.3 mtp-105 -117.5 81.79 14.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -21.64 33.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -121.81 145.03 48.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 -36.46 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -83.97 29.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 54.7 mm-40 -119.48 131.84 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -45.54 171.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt -103.58 -47.36 4.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.44 -43.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE1' HD22 ' A' ' 22' ' ' LEU . 28.9 p90 -97.62 141.68 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.81 124.26 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -109.23 127.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.13 114.95 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.6 25.68 15.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.89 21.27 47.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 49' ' ' HIS . 54.6 mt -139.49 115.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 51' ' ' ILE . 13.3 mt -60.99 142.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 50.4 t -124.4 -48.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 t -122.71 155.59 36.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -134.7 136.02 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.2 tp -67.61 116.45 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -72.18 106.52 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.83 43.01 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.63 -146.4 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.7 mt -88.92 -48.63 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.0 -63.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -41.45 -50.36 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -65.84 -35.05 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.66 -46.53 83.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.53 27.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.618 ' CG1' HD11 ' A' ' 13' ' ' ILE . 49.8 mm -81.14 142.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -133.99 117.06 16.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 m -61.95 150.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.55 -11.83 59.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 30' ' ' ILE . 7.1 m170 -93.67 165.07 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.38 134.8 53.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 31' ' ' ILE . 34.1 mm -81.47 107.63 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.69 -26.08 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -149.45 156.58 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.484 ' C ' HD12 ' A' ' 54' ' ' ILE . 1.8 pp -148.74 136.57 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ILE . 73.1 m-20 36.96 37.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.54 48.21 14.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -150.28 118.46 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -65.7 115.47 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.67 -0.27 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -23.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.21 -30.39 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 63' ' ' PRO . 78.0 m -54.32 138.01 58.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.8 146.09 58.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.716 ' CE1' HD11 ' A' ' 68' ' ' ILE . 4.5 t60 -46.16 -55.66 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.16 -63.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.13 -52.03 67.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 64' ' ' HIS . 64.0 mt -42.3 -39.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 64' ' ' HIS . 33.8 mm -64.71 -38.15 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.3 mm-40 -67.72 -39.52 84.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 66' ' ' ARG . 36.2 mt -66.12 -68.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -40.93 -52.73 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.0 m -61.32 -44.08 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 mm-40 -57.31 -31.75 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.15 121.35 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.46 171.8 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -115.72 4.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 9.9 tt0 -72.34 110.32 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' HD3' ' A' ' 15' ' ' ARG . 87.3 t -113.26 100.37 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 11.4 m170 -77.95 138.65 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -140.39 120.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -94.08 107.34 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 132.36 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.479 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.8 ttt -142.52 139.57 17.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.4 Cg_endo -69.78 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.4 -34.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -58.11 -66.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 91' ' ' LEU . 8.1 m -53.21 -60.85 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.883 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.6 t80 -42.9 -58.42 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -51.61 -50.18 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.58 -36.25 73.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -81.02 103.75 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -92.69 130.05 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.81 146.35 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -118.55 134.79 61.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 HD11 ' CG1' ' A' ' 45' ' ' ILE . 47.1 mm -108.87 135.51 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.568 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.6 m-70 -97.07 102.23 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' HD21 ' A' ' 22' ' ' LEU . 55.3 mtp180 -111.45 81.4 3.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.86 27.07 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -122.54 148.3 45.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.8 -36.76 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -83.91 29.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 36.3 mm-40 -116.93 128.27 55.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -48.89 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.7 mt -104.76 -60.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.54 -42.52 1.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 50.2 p90 -91.23 132.8 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -97.45 121.08 38.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -103.17 139.9 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -135.93 122.31 20.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.87 25.67 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.33 18.75 56.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 70.2 mt -138.27 121.51 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 HG12 ' A' ' 47' ' ' VAL . 25.3 mt -62.45 136.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.6 -58.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -110.73 155.27 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.4 tt -135.63 129.7 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -66.81 137.84 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -80.26 137.93 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.21 44.27 96.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.54 -164.31 13.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.0 mt -80.06 -39.86 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -51.83 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -42.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -69.87 -35.95 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -70.85 -41.54 62.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.55 35.16 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG1' HD11 ' A' ' 13' ' ' ILE . 11.7 mm -92.65 137.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -134.04 115.11 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 31' ' ' ILE . 26.7 m -54.96 151.31 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.51 -20.39 49.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -84.16 133.47 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' MET . 11.8 tpt180 -85.91 130.53 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CD1' HG22 ' A' ' 82' ' ' THR . 20.3 mm -78.27 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.2 -12.87 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.06 148.08 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.5 pp -146.48 132.86 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.713 ' ND2' HG13 ' A' ' 78' ' ' VAL . 35.1 m120 49.49 28.45 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.77 39.97 16.0 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -142.7 126.49 17.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -67.33 115.07 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -106.77 -5.45 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.35 -29.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 24.83 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.055 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.7 m -117.99 139.19 26.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 148.82 65.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.803 ' CE1' HD11 ' A' ' 68' ' ' ILE . 32.4 t60 -45.66 -54.75 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -56.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 6.9 tpt180 -64.94 -49.17 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 64' ' ' HIS . 83.3 mt -45.05 -43.69 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.803 HD11 ' CE1' ' A' ' 64' ' ' HIS . 37.5 mm -65.73 -45.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.89 -41.97 92.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.682 ' HB3' HD11 ' A' ' 54' ' ' ILE . 30.1 mt -65.49 -66.22 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 80' ' ' ILE . 12.7 mt -43.02 -48.56 6.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.2 m -61.84 -45.69 92.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.4 mt-10 -55.52 -31.47 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.82 123.02 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 54.9 m-85 -120.56 165.95 14.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.65 -106.33 1.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -95.37 100.39 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG13 ' ND2' ' A' ' 55' ' ' ASN . 85.8 t -104.65 117.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -90.27 102.98 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG12 HD21 ' A' ' 71' ' ' LEU . 90.5 mt -103.51 111.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -86.28 106.69 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CD1' ' A' ' 51' ' ' ILE . 64.4 p -98.16 150.9 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' ARG . 1.1 tpt -156.01 137.03 9.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.52 4.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.7 -33.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -65.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 m -57.45 -57.52 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -45.84 -56.13 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.97 -45.59 74.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.11 -32.25 73.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 88' ' ' TYR . 41.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.933 0.397 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.1 m -86.21 124.83 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -110.8 142.53 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.57 155.42 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mm -127.7 116.17 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 17.5 mm -100.6 132.21 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.55 100.14 11.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HD2' HD21 ' A' ' 22' ' ' LEU . 43.4 mtp180 -107.37 83.93 1.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.44 24.15 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -124.6 139.88 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.94 -30.98 31.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 14.6 mtp180 -83.75 29.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 5.6 mm-40 -120.19 137.46 54.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -56.75 173.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.885 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.7 mt -105.28 -57.64 2.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.01 -38.74 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.885 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.5 p90 -93.28 122.64 35.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -86.76 133.59 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.71 144.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.38 122.18 12.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 56.66 27.03 11.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.15 22.64 54.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 50' ' ' ARG . 74.7 mt -139.17 121.17 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.72 HG22 HG12 ' A' ' 47' ' ' VAL . 31.8 mt -67.87 143.38 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.0 t -117.37 -60.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -116.71 161.98 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.861 HD21 ' HB3' ' A' ' 40' ' ' ALA . 4.0 tt -135.42 131.92 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.8 tp -69.92 100.05 1.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -60.01 123.27 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.67 29.7 10.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.31 -140.08 5.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 13' ' ' ILE . 8.8 mt -95.65 -50.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.861 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.84 -59.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.04 -44.65 67.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -59.61 -54.49 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.44 96.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.46 31.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.577 ' HB ' ' HB1' ' A' ' 40' ' ' ALA . 43.6 mm -73.97 130.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -123.11 112.89 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.72 HG12 HG22 ' A' ' 31' ' ' ILE . 28.9 m -55.48 151.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.86 -26.87 12.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -74.92 131.25 40.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 30' ' ' ILE . 4.6 tpp85 -84.29 133.19 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.62 142.93 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.2 pt -126.13 -28.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -153.98 131.24 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.502 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.5 pp -123.85 144.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ILE . 67.8 m-80 37.37 29.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.86 42.54 12.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ILE . 21.1 mm-40 -145.66 130.13 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.8 p -64.66 123.21 18.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG12 ' A' ' 54' ' ' ILE . 30.0 m -121.38 -12.64 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -44.9 -24.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.05 -34.94 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.9 m -48.11 139.18 10.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.78 134.45 27.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.635 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -36.11 -53.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.51 -51.58 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -69.71 -46.88 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.16 -42.37 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 64' ' ' HIS . 11.2 mm -67.27 -40.42 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.19 -44.33 92.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.24 -67.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -41.74 -44.92 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.6 m -65.25 -50.59 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 5.3 mm-40 -56.57 -34.87 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.33 126.51 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.9 m-85 -114.51 172.2 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.4 -121.48 14.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.425 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 131.9 43.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 80' ' ' ILE . 94.4 t -129.44 103.98 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -82.75 103.55 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.598 HG13 HG12 ' A' ' 78' ' ' VAL . 85.7 mt -109.26 110.47 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -86.8 106.07 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -97.54 135.94 38.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.649 ' HE3' HG22 ' A' ' 8' ' ' VAL . 9.1 ttt -139.8 140.13 23.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.2 Cg_endo -69.71 114.69 3.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.07 -42.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.07 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.647 HG22 HD11 ' A' ' 91' ' ' LEU . 48.1 m -53.89 -64.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.1 t80 -37.57 -61.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -50.72 -47.67 59.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.66 -39.43 77.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 88' ' ' TYR . 7.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.915 0.388 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 m -82.39 123.87 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.1 m -116.52 128.8 55.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.39 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt -119.74 140.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 40' ' ' ALA . 4.1 mm -118.44 150.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.515 ' O ' HG21 ' A' ' 39' ' ' ILE . 38.2 m-70 -103.62 101.27 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.579 ' NH1' HG21 ' A' ' 13' ' ' ILE . 37.2 mtt-85 -115.04 83.38 9.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -19.64 35.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -127.66 137.49 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.62 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 43.2 mtp85 -84.0 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 4.5 mm-40 -117.87 146.92 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -52.99 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 15.0 mt -117.32 -51.25 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.11 -43.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 36.9 p90 -93.05 123.03 36.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -84.66 120.78 26.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 31' ' ' ILE . 84.6 t -107.51 128.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -119.5 112.26 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.25 29.36 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.97 58.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -134.03 113.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 51' ' ' ILE . 18.2 mt -64.74 130.27 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 39.2 t -109.74 -51.23 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -120.42 161.1 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' NH2' ' A' ' 46' ' ' ARG . 2.5 tt -137.18 135.75 37.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 34' ' ' LEU . 5.8 tp -68.99 116.16 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -74.01 110.32 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.21 36.83 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -121.22 -149.3 8.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.515 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.3 mt -89.64 -46.7 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.59 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.38 -45.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -72.42 -36.17 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -64.37 -48.03 78.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.78 32.99 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.67 ' CG1' HD11 ' A' ' 13' ' ' ILE . 28.0 mm -94.02 132.73 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.58 ' NH2' HD13 ' A' ' 34' ' ' LEU . 8.0 mmp_? -130.38 124.78 32.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.8 162.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.87 -34.48 4.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -78.97 134.13 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 9.7 ttm180 -89.54 143.35 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 31' ' ' ILE . 35.0 mm -82.37 131.86 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 pt -122.49 -12.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.23 135.53 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -137.75 145.99 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.655 HD21 HG13 ' A' ' 78' ' ' VAL . 12.9 m120 38.25 34.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.73 42.52 53.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . 8.7 mt-30 -143.68 121.38 11.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -63.7 113.14 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.49 10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.65 -25.74 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 -37.86 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 63' ' ' PRO . 96.7 m -37.8 139.06 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.69 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.766 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.3 t60 -40.34 -57.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.73 -56.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -62.69 -47.03 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 64' ' ' HIS . 86.1 mt -46.31 -44.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 64' ' ' HIS . 20.8 mm -62.22 -42.72 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.29 -38.15 85.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 54' ' ' ILE . 48.2 mt -69.91 -66.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -42.62 -41.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.9 m -64.95 -48.68 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 51.8 mm-40 -57.02 -34.55 68.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 55' ' ' ASN . . . -62.7 114.54 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.39 164.04 12.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.55 -110.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.03 124.24 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 55' ' ' ASN . 55.2 t -125.76 104.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.1 109.45 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.506 HG13 HG12 ' A' ' 78' ' ' VAL . 94.9 mt -112.38 114.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -89.55 106.31 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -96.13 146.13 24.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.3 tpt -146.56 136.27 11.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 122.04 8.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 89' ' ' ARG . . . -45.35 -39.07 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.6 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 91' ' ' LEU . 32.8 m -52.09 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.744 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -44.01 -57.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 15.2 mmm180 -48.51 -47.04 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG22 ' CE ' ' A' ' 83' ' ' MET . 51.9 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -81.12 118.2 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 m -104.88 125.41 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.07 149.08 48.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.07 134.67 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 45' ' ' ILE . 4.9 mm -114.56 152.08 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.528 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.2 m-70 -110.71 105.05 13.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 12.5 mtp-105 -116.5 87.57 21.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.19 12.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.222 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -115.7 149.55 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.78 18.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 98.0 mtt180 -83.94 29.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 9.5 mm-40 -122.16 126.25 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -45.39 169.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 24' ' ' PHE . 5.6 mt -99.9 -46.86 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.97 -44.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.0 p90 -90.63 133.05 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -95.71 119.0 33.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 31' ' ' ILE . 55.6 t -109.61 136.39 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -129.58 110.8 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.33 29.3 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.03 23.43 49.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.09 116.23 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 47' ' ' VAL . 11.8 mt -68.74 142.93 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.91 -47.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -118.11 161.96 18.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tt -142.52 131.76 23.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.34 109.18 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -68.18 105.16 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.44 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.76 -148.56 7.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.6 mt -88.91 -42.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.07 -68.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' ALA . 30.7 tt0 -36.66 -49.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -66.79 -37.9 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.82 -47.82 82.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.8 27.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 13' ' ' ILE . 37.4 mm -81.12 142.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -136.42 113.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG12 HG22 ' A' ' 31' ' ' ILE . 35.7 m -54.5 160.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.57 -12.31 56.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.49 133.19 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -85.14 142.43 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.503 ' CD1' HG22 ' A' ' 82' ' ' THR . 49.5 mm -86.91 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 pt -123.57 -15.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 81' ' ' LYS . 29.4 tt0 -155.04 144.24 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.3 pp -145.1 142.14 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' ILE . 69.4 m-80 36.75 38.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.74 49.87 27.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -149.13 124.5 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -67.87 102.79 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.37 11.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.847 HG21 ' OH ' ' A' ' 88' ' ' TYR . 12.4 p -52.67 -26.65 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.79 -33.83 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.646 HG23 ' HD2' ' A' ' 63' ' ' PRO . 97.1 m -44.71 138.76 3.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.78 138.63 38.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.789 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.6 t60 -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -37.71 -53.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.19 -42.11 84.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 64' ' ' HIS . 75.0 mt -50.43 -41.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.789 HD11 ' CE1' ' A' ' 64' ' ' HIS . 50.1 mm -64.92 -44.92 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.21 -41.5 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.34 -66.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 67' ' ' ILE . 9.4 mt -43.9 -53.07 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.3 m -59.62 -45.72 91.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 6.7 mm-40 -64.72 -17.97 64.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.59 113.61 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.14 167.86 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.51 -118.63 14.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 32.8 tt0 -78.54 119.9 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.7 99.97 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 51.9 m-70 -80.08 104.33 10.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.1 mt -108.18 122.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' A' ' 8' ' ' VAL . 17.7 tttt -98.52 106.11 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 51' ' ' ILE . 58.2 p -97.37 153.17 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.6 ttt -153.26 140.0 12.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.78 121.04 7.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.25 -40.05 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.93 -65.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 91' ' ' LEU . 23.8 m -51.0 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.884 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -38.31 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -52.05 -42.05 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.35 -31.48 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 88' ' ' TYR . 6.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 52' ' ' ILE . 76.9 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -85.04 128.96 34.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -112.01 131.26 55.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.75 126.34 36.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mt -105.63 134.64 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.727 HD11 ' CG1' ' A' ' 45' ' ' ILE . 34.4 mm -111.62 154.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.504 ' O ' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -107.81 100.12 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -111.05 80.42 2.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.91 33.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -151.4 144.77 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.47 -59.79 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 22.7 mmm180 -34.4 -32.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 8.5 mm-40 -80.86 131.88 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -67.02 -174.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.615 HD22 ' HE1' ' A' ' 24' ' ' PHE . 4.9 mt -104.55 -42.34 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.87 -41.22 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' HE1' HD22 ' A' ' 22' ' ' LEU . 38.8 p90 -87.41 134.29 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.76 127.59 48.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.32 128.88 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -125.61 102.99 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' CE1' ' A' ' 64' ' ' HIS . 3.2 t70 74.14 36.75 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.36 18.08 79.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -139.79 119.92 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 HG12 ' A' ' 47' ' ' VAL . 17.8 mt -61.68 138.86 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.39 -64.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -111.69 157.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -129.14 132.49 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -68.78 132.02 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 17.8 ttp-105 -78.18 149.33 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.87 39.24 47.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.17 8.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.0 mt -95.89 -43.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -49.54 -65.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.32 -50.76 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -61.54 -39.34 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.6 -48.06 71.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.73 8.45 3.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' HD11 ' A' ' 13' ' ' ILE . 18.4 mm -56.73 132.57 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -125.46 116.36 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 31' ' ' ILE . 31.1 m -56.8 168.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.01 -38.08 2.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -73.04 137.18 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -90.4 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.66 HG22 HG21 ' A' ' 59' ' ' VAL . 41.6 mm -80.77 133.83 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.7 HD13 ' SD ' ' A' ' 83' ' ' MET . 17.7 pt -117.14 -26.04 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -145.16 157.11 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.721 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -153.18 128.32 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.653 HD21 HG13 ' A' ' 78' ' ' VAL . 7.9 m120 43.04 34.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.91 41.37 23.16 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.53 134.69 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -71.75 114.48 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.66 HG21 HG22 ' A' ' 51' ' ' ILE . 34.6 m -107.51 -12.26 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.61 -23.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.85 -29.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.661 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.4 m -49.15 139.07 13.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 133.44 25.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' ' H ' ' A' ' 28' ' ' ASP . 23.6 t60 -34.73 -49.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.14 -69.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.6 tpp85 -49.01 -51.54 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 64' ' ' HIS . 94.8 mt -41.27 -39.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.32 -45.93 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.83 -38.86 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.44 -70.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 mt -39.1 -47.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -62.74 -49.57 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.574 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 44.2 mt-10 -57.57 -36.27 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 113.92 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 8.6 m-85 -109.36 161.25 15.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.98 -122.65 10.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.06 104.26 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.653 HG13 HD21 ' A' ' 55' ' ' ASN . 57.4 t -103.34 99.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.91 105.64 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.1 mt -105.6 116.99 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -89.61 109.06 20.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.7 p -99.03 148.67 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.7 ' SD ' HD13 ' A' ' 52' ' ' ILE . 12.0 ttt -156.64 139.82 11.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.83 -41.27 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.86 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -47.73 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.918 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.0 t80 -41.58 -61.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -46.8 -55.46 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.73 -36.75 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HE3' ' A' ' 83' ' ' MET . 96.6 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 m -83.55 117.94 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 m -103.21 134.74 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.47 148.56 51.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.91 126.42 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.537 HD11 ' CG1' ' A' ' 45' ' ' ILE . 20.8 mm -105.65 157.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 39' ' ' ILE . 7.9 m80 -125.31 106.35 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.69 92.49 33.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.93 37.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.402 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.451 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -136.83 147.12 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.3 -32.05 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 27.6 mtt-85 -83.99 29.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 40.1 mm-40 -124.04 136.68 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -50.0 171.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.784 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.5 mt -107.63 -46.7 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.29 -46.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.784 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 40.4 p90 -87.41 134.66 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.4 m -102.07 122.69 44.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.23 135.23 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -126.9 116.71 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.54 25.38 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.87 20.65 42.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.6 mt -138.91 114.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' ILE . 12.9 mt -61.68 138.99 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -121.64 -46.57 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -122.69 156.66 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 40' ' ' ALA . 1.3 tt -137.98 127.83 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.55 94.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 -13.72 27.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -81.57 -142.98 3.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.2 mt -89.46 -40.46 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 111.091 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.869 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -52.12 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 5.6 tm-20 -46.88 -43.03 18.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.38 -22.22 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.64 -46.88 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.03 19.98 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.537 ' CG1' HD11 ' A' ' 13' ' ' ILE . 17.5 mm -74.79 143.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -129.4 130.48 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.45 162.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.92 -16.84 13.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -87.28 144.88 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -100.93 141.66 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.854 HG22 HG21 ' A' ' 59' ' ' VAL . 23.7 mm -82.83 133.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.557 ' C ' HG22 ' A' ' 59' ' ' VAL . 44.7 pt -121.25 -13.32 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' N ' HG22 ' A' ' 59' ' ' VAL . 11.4 tt0 -159.37 150.19 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.635 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -149.0 133.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 54' ' ' ILE . 76.0 m-20 42.77 33.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.38 32.79 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ILE . 34.1 mt-30 -133.96 121.76 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -60.81 116.79 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.854 HG21 HG22 ' A' ' 51' ' ' ILE . 35.3 m -108.51 -5.43 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 p -51.69 -22.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.87 -28.97 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.668 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.5 m -47.88 139.15 9.47 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.541 0.686 . . . . 0.0 111.204 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 140.46 42.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.516 ' HA ' HD12 ' A' ' 67' ' ' ILE . 23.7 t60 -35.92 -53.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.3 -66.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -48.09 -57.18 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 64' ' ' HIS . 84.7 mt -40.04 -37.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -75.7 -53.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.85 -57.66 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.3 mt -47.05 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -44.78 -66.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -44.76 -46.67 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 44.5 mt-10 -58.24 -33.22 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.15 117.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.495 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -103.23 171.01 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.74 -121.89 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.33 129.67 38.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.599 HG21 ' NE ' ' A' ' 15' ' ' ARG . 54.2 t -133.43 105.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.41 114.49 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.1 mt -116.54 110.56 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -85.2 106.82 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 p -96.49 145.7 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 52' ' ' ILE . 9.6 ttt -153.44 140.07 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.22 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.53 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' LEU . 8.8 m -53.61 -68.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.959 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 t80 -37.82 -53.5 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -57.56 -40.28 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' THR . 15.0 mt -68.46 -26.94 65.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.959 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -79.63 115.39 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -108.34 141.49 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.73 143.46 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 79' ' ' HIS . 14.4 mm -116.8 128.55 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 18.1 mm -104.83 153.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' ILE . 25.1 m-70 -113.92 102.49 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.794 ' HD3' HD21 ' A' ' 22' ' ' LEU . 9.6 mtm180 -110.0 81.18 2.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.71 29.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -156.01 142.63 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.75 -57.42 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 27.8 mmt180 -34.75 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.7 mm-40 -80.91 142.71 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -71.87 -174.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 15' ' ' ARG . 6.4 mt -107.56 -46.44 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 119.55 -46.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 22' ' ' LEU . 41.0 p90 -85.91 144.73 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -113.8 125.34 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.61 136.04 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.53 113.71 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.62 28.33 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.71 17.7 57.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -140.06 119.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 47' ' ' VAL . 24.2 mt -59.27 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.05 -62.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t -116.54 155.61 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.8 tt -128.42 131.97 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.633 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.8 tp -70.08 112.16 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -66.98 123.46 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.08 9.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.71 -150.42 8.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -89.66 -38.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.753 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -50.83 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -46.97 -39.4 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -68.0 -43.57 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.88 95.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.02 28.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.583 HG23 HD13 ' A' ' 31' ' ' ILE . 16.7 mm -83.39 138.89 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -136.61 127.95 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.588 HG12 HG22 ' A' ' 31' ' ' ILE . 14.2 m -59.58 170.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -31.81 3.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -79.2 142.27 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -96.32 154.1 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -90.83 135.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.33 -20.2 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -155.94 153.35 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -150.0 135.09 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.561 HD21 HG13 ' A' ' 78' ' ' VAL . 58.5 m-80 37.15 33.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 80.24 38.56 18.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' ILE . 12.4 mm-40 -140.74 122.78 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -71.82 114.86 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.25 6.88 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.6 -20.73 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.12 -21.42 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.7 m -68.59 139.19 91.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.5 Cg_endo -69.77 139.65 40.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.831 ' HA ' HD12 ' A' ' 67' ' ' ILE . 73.0 t60 -42.7 -52.35 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -54.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -43.14 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.4 mt -47.18 -35.67 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.536 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -67.79 -39.47 81.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.9 mt -69.04 -67.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.26 -46.68 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -68.46 -35.59 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 mm-40 -66.23 -18.3 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.63 116.59 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.47 167.78 9.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.66 -119.24 16.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.44 118.38 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.561 HG13 HD21 ' A' ' 55' ' ' ASN . 57.8 t -123.49 111.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.558 ' HA ' HD13 ' A' ' 12' ' ' ILE . 13.5 m-70 -89.91 101.86 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mt -103.89 126.36 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.82 106.07 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -98.76 150.33 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 7.9 ttt -159.19 139.76 9.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.74 115.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.85 -38.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 91' ' ' LEU . 85.6 m -52.1 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.821 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.6 t80 -37.91 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -48.52 -44.99 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.75 -28.15 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.848 HD11 HG22 ' A' ' 87' ' ' THR . 9.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.913 0.387 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -97.0 139.61 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -124.14 146.53 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.36 140.26 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mm -113.16 145.15 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 45' ' ' ILE . 7.1 mm -120.97 153.79 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.43 ' O ' HG21 ' A' ' 39' ' ' ILE . 1.3 m80 -108.37 100.5 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.742 ' HD3' HG21 ' A' ' 78' ' ' VAL . 8.0 mtp-105 -115.5 86.71 15.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.85 32.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.404 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -127.9 139.07 52.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.04 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mtp180 -84.01 29.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 23.8 mm-40 -120.72 135.48 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -47.77 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 24' ' ' PHE . 8.2 mt -107.13 -47.16 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.43 -45.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.6 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.9 p90 -89.73 122.72 33.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -82.08 121.42 26.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.03 135.21 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -125.82 120.43 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.78 27.07 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.04 46.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.27 116.27 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.537 HG22 HG12 ' A' ' 47' ' ' VAL . 18.3 mt -62.89 140.39 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -124.01 -46.29 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -125.31 161.09 27.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.0 tt -135.08 136.56 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.7 tp -69.93 112.8 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -55.18 136.86 48.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.94 52.85 36.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.05 -153.77 9.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.9 mt -85.31 -47.19 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.63 -62.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.76 -42.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -74.03 -36.09 64.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -67.67 -45.8 73.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.78 28.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 13' ' ' ILE . 18.7 mm -80.43 134.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -128.8 116.22 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 31' ' ' ILE . 32.2 m -57.38 155.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.8 -35.93 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -77.68 140.58 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 7.6 ttm180 -90.44 145.61 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 48.6 mm -86.73 120.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.9 pt -107.45 -24.73 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -147.4 148.71 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -147.0 136.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' A' ' 74' ' ' ALA . 73.9 m-80 42.45 40.92 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.05 43.01 74.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -140.95 124.45 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -71.0 110.3 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.77 36.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 3.9 p -67.81 -22.04 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' THR . . . -116.9 -40.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.7 m -34.21 137.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.74 140.49 42.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.605 ' NE2' HD11 ' A' ' 68' ' ' ILE . 1.8 t60 -39.45 -54.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -37.94 -53.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.45 -47.51 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.95 -41.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' NE2' ' A' ' 64' ' ' HIS . 5.2 mm -62.69 -51.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.7 -33.7 48.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HB3' HD11 ' A' ' 54' ' ' ILE . 25.1 mt -69.46 -60.87 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.08 -47.18 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -55.6 -41.2 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.51 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 7.8 mt-10 -62.39 -24.56 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . . . -76.04 134.86 39.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 4.1 m-85 -120.02 168.95 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' ARG . . . 42.95 -107.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -72.82 106.84 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.742 HG21 ' HD3' ' A' ' 15' ' ' ARG . 63.9 t -111.02 102.3 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.66 142.55 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.3 mt -147.0 112.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.57 109.34 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 p -95.08 143.39 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.43 137.12 10.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.82 -44.0 38.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.17 -66.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.658 HG22 HD11 ' A' ' 91' ' ' LEU . 64.2 m -45.88 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.981 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -41.14 -61.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -48.68 -41.96 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.82 -21.36 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.981 HD12 ' HA ' ' A' ' 88' ' ' TYR . 17.2 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.94 0.4 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -81.11 114.73 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -107.53 142.85 36.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . -143.1 148.48 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -123.14 130.77 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.8 mm -111.24 159.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -126.34 101.23 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.943 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -111.92 88.94 10.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.77 31.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.282 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -123.41 142.8 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.16 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 80.0 mtt180 -83.87 29.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 17.0 mm-40 -120.89 137.93 54.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -50.34 167.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.9 mt -105.21 -38.38 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.22 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 48.1 p90 -85.79 133.84 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -98.29 119.29 36.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.95 135.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -130.43 123.69 30.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.09 25.41 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.71 19.11 53.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.66 120.39 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG22 HG12 ' A' ' 47' ' ' VAL . 13.1 mt -66.35 139.31 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.08 -47.22 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -123.87 160.08 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.1 tt -138.55 132.33 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.9 tp -66.66 126.69 29.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -80.43 116.92 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.99 45.15 5.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.49 -141.13 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.08 -46.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -46.76 -64.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.26 -48.75 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.93 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.73 -44.71 97.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.436 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 131.83 27.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD11 HD11 ' A' ' 13' ' ' ILE . 45.7 mm -83.03 136.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.23 113.6 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 31' ' ' ILE . 7.2 m -56.21 149.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.81 -19.58 51.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -95.02 136.94 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 10.2 ttt180 -89.1 144.63 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 82' ' ' THR . 7.3 mm -82.44 133.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.3 pt -118.88 -14.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.08 152.58 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -146.73 140.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ILE . 66.1 m-80 35.66 31.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.75 41.99 14.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.2 mm100 -142.57 125.02 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 t -61.4 123.02 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.37 -6.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.04 -31.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.06 25.75 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 63' ' ' PRO . 81.7 m -110.77 139.31 21.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.569 0.699 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.6 Cg_endo -69.82 143.67 51.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.229 . . . . 0.0 112.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.724 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.1 t60 -42.96 -52.41 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -59.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.63 -50.23 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 64' ' ' HIS . 77.1 mt -49.17 -50.5 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.724 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.6 mm -57.29 -44.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -46.24 90.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD13 HD11 ' A' ' 54' ' ' ILE . 30.4 mt -59.22 -68.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.83 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -56.41 -37.21 69.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.84 -15.74 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.68 116.72 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -107.05 163.94 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.44 -122.98 24.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.34 123.49 23.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.943 HG21 ' NE ' ' A' ' 15' ' ' ARG . 55.8 t -130.59 109.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -86.06 118.36 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.45 112.01 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 81' ' ' LYS . 2.6 ttmp? -88.63 106.57 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.424 HG22 HD13 ' A' ' 51' ' ' ILE . 1.7 p -95.37 153.08 17.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -151.22 137.13 11.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.77 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.44 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -49.59 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.6 t80 -39.69 -56.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -54.64 -47.6 73.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 90' ' ' LEU . 13.2 mt -62.71 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 88' ' ' TYR . 43.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 81' ' ' LYS . 45.3 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.881 0.372 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -84.12 140.16 31.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -125.64 128.47 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 149.8 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -121.31 130.42 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 40' ' ' ALA . 26.4 mm -109.24 148.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.5 m80 -108.72 100.9 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.672 ' NH2' HG11 ' A' ' 78' ' ' VAL . 24.2 mtt180 -114.67 88.84 17.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.05 21.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 3.6 t-80 -120.46 150.2 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.96 -33.39 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -83.9 29.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 10.3 mm-40 -121.14 132.72 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.32 168.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.9 mt -102.6 -45.31 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.76 -49.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 45.6 p90 -88.23 120.02 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -83.36 118.6 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.4 t -107.86 145.69 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -142.99 118.27 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.32 26.63 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.86 21.79 51.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 70.2 mt -140.95 121.01 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD13 HG23 ' A' ' 45' ' ' ILE . 12.7 mt -67.8 140.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.75 -42.86 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -132.09 156.7 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 45' ' ' ILE . 2.5 tt -130.75 135.92 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' HA3' ' A' ' 38' ' ' GLY . 5.7 tp -67.54 110.44 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -66.63 113.41 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.9 42.54 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.571 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -122.84 -142.91 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.45 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.3 mt -98.63 -42.32 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.69 -58.94 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -43.24 -39.62 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -77.65 -28.02 51.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.02 -38.31 40.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.55 23.64 1.49 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 13' ' ' ILE . 36.5 mm -79.95 136.66 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -135.1 125.28 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.65 151.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.57 -25.55 20.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -77.11 150.52 35.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.27 135.5 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 82' ' ' THR . 9.3 mm -84.74 119.28 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -105.74 -25.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -146.53 149.1 32.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.0 pp -146.99 146.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.631 HD21 HG13 ' A' ' 78' ' ' VAL . 27.0 m120 34.55 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.45 48.48 77.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -150.38 119.41 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -65.31 122.05 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.04 10.42 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.4 -21.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.22 -29.34 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.597 HG23 ' HD2' ' A' ' 63' ' ' PRO . 90.7 m -53.55 138.05 51.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.688 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.72 152.82 69.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.782 ' NE2' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -53.41 -53.66 48.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.17 -42.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -79.35 -40.59 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -55.81 -32.48 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.782 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.4 mm -68.63 -34.86 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -72.65 -31.03 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 54' ' ' ILE . 70.0 mt -74.98 -61.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -49.23 -52.96 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.6 m -59.1 -37.38 77.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 42.9 mt-10 -64.05 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -88.14 117.91 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -104.24 171.14 7.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.67 -108.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -79.68 133.34 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG11 ' NH2' ' A' ' 15' ' ' ARG . 62.1 t -131.45 106.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -83.62 106.14 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.588 HD11 ' NH2' ' A' ' 15' ' ' ARG . 71.9 mt -111.29 123.84 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HG2' HG11 ' A' ' 8' ' ' VAL . 20.9 ttmt -96.32 108.37 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 51' ' ' ILE . 50.7 p -96.45 141.95 29.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.53 136.15 11.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.61 -41.28 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.06 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.732 HG22 HD11 ' A' ' 91' ' ' LEU . 27.2 m -54.46 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.9 t80 -36.74 -60.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -52.19 -46.52 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.87 -22.95 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 88' ' ' TYR . 15.1 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' A' ' 83' ' ' MET . 47.8 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.914 0.388 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -111.41 114.76 28.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 m -96.25 139.11 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mm -117.89 131.08 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.728 HG21 ' CD2' ' A' ' 22' ' ' LEU . 43.6 mm -107.19 125.63 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' O ' HG21 ' A' ' 39' ' ' ILE . 18.1 m-70 -83.34 101.86 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 22' ' ' LEU . 12.6 mtp180 -109.73 79.83 1.51 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -158.7 153.6 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -86.5 -59.21 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -34.76 -32.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 26.6 mm-40 -79.4 142.18 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.27 -174.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.79 HD22 ' HE1' ' A' ' 24' ' ' PHE . 6.9 mt -103.86 -41.7 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 -42.16 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.79 ' HE1' HD22 ' A' ' 22' ' ' LEU . 51.2 p90 -87.19 140.92 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.3 t -107.39 127.04 53.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.37 136.99 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -126.25 114.3 18.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.73 27.81 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.42 41.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -141.12 115.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 45' ' ' ILE . 20.6 mt -59.57 140.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' O ' HG11 ' A' ' 47' ' ' VAL . 4.8 t -121.06 -62.05 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -111.78 156.31 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.9 tt -132.79 133.15 43.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.8 tp -68.3 118.94 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -74.33 120.01 19.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 36.36 8.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.48 -140.02 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.5 mt -99.17 -51.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -40.19 -65.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -41.57 -34.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -82.13 -32.84 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -71.65 -44.21 49.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.95 26.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 13' ' ' ILE . 30.0 mm -85.72 132.16 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -133.02 117.24 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' ILE . 21.2 m -47.77 170.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -37.62 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.81 152.42 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 23.3 ttt180 -108.89 148.44 30.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 59' ' ' VAL . 35.5 mm -88.12 131.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.436 HD13 ' SD ' ' A' ' 83' ' ' MET . 40.1 pt -121.05 -17.32 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.27 154.36 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.631 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.4 pp -152.66 124.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.402 HD21 HG13 ' A' ' 78' ' ' VAL . 21.5 m120 51.96 26.93 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 18.66 58.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -119.03 121.63 40.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -63.89 114.22 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 51' ' ' ILE . 35.7 m -104.49 -15.81 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.29 -33.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.73 -32.26 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.9 m -48.6 138.87 11.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.0 Cg_endo -69.8 142.49 47.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.595 ' HA ' HD12 ' A' ' 67' ' ' ILE . 38.3 t60 -38.38 -57.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.99 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -55.41 -55.6 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 64' ' ' HIS . 93.4 mt -37.62 -33.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mm -79.19 -53.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -57.2 -50.29 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.6 mt -55.37 -66.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -45.32 -53.29 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.5 m -56.58 -45.43 81.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 37.5 mt-10 -60.81 -29.7 69.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.0 119.56 16.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 10.3 m-85 -111.92 171.42 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.45 -122.95 31.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -75.47 110.19 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 55' ' ' ASN . 60.2 t -112.57 112.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.96 116.64 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.13 111.41 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -84.9 110.68 19.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -99.8 148.98 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.478 ' SD ' HG22 ' A' ' 8' ' ' VAL . 8.0 ttt -159.11 140.54 9.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 122.68 9.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.99 -46.17 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.78 -67.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.814 HG22 HD11 ' A' ' 91' ' ' LEU . 35.0 m -50.73 -71.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.86 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.5 t80 -37.66 -64.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -44.98 -44.5 9.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 90' ' ' LEU . 17.3 mt -67.08 -31.48 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' A' ' 81' ' ' LYS . 50.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -79.71 117.43 20.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.1 m -96.92 144.0 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.49 128.87 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.516 HG12 ' CD2' ' A' ' 79' ' ' HIS . 22.6 mt -98.0 141.11 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.45 HG21 HD22 ' A' ' 22' ' ' LEU . 46.7 mm -116.67 135.67 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -100.76 104.45 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.669 ' CG ' HD21 ' A' ' 22' ' ' LEU . 30.2 mtp180 -107.73 80.04 0.92 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.25 9.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.29 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 7.5 t-80 -161.48 142.63 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' ARG . . . -93.27 -52.48 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 24.6 mmm-85 -34.35 -38.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ALA . 2.5 pp20? -91.14 139.81 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.3 -174.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.961 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 mt -103.27 -43.58 5.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.78 -29.53 5.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.961 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 55.0 p90 -92.8 123.74 36.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.15 123.87 34.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.17 138.94 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -131.14 119.47 21.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 52.62 26.77 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.72 18.46 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -136.0 116.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.551 HD13 ' CG2' ' A' ' 45' ' ' ILE . 27.1 mt -62.92 137.75 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.14 -54.18 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -122.64 157.99 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.7 tt -132.97 136.89 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 34' ' ' LEU . 17.4 tp -66.46 142.6 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -83.0 127.44 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.78 47.67 73.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 -146.56 7.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.5 mt -95.1 -54.75 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -34.77 -57.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.32 -44.18 79.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 62.8 mtp85 -58.58 -51.76 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.23 -44.24 97.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.25 31.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 31' ' ' ILE . 33.3 mm -81.52 138.35 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -135.85 113.54 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 31' ' ' ILE . 20.3 m -50.87 153.8 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.61 -35.24 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -73.34 152.83 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -107.24 136.73 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.6 mm -79.14 137.34 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -123.53 -20.32 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -151.74 153.03 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.512 ' C ' HD12 ' A' ' 54' ' ' ILE . 1.6 pp -153.11 137.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.701 HD21 HG13 ' A' ' 78' ' ' VAL . 36.2 m120 46.53 29.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.79 39.4 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -141.45 128.98 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.7 p -69.21 119.81 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 m -130.46 25.06 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.446 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 2.7 p -61.63 -33.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.25 -37.1 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 63' ' ' PRO . 86.1 m -40.87 138.33 1.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.3 Cg_endo -69.81 145.39 56.74 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.989 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.0 t60 -44.66 -53.64 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.6 -54.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -66.52 -44.33 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 64' ' ' HIS . 21.0 mt -50.61 -43.35 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.989 HD11 ' CE1' ' A' ' 64' ' ' HIS . 29.5 mm -62.75 -49.54 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.93 -34.7 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.09 -67.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' O ' ' NH1' ' A' ' 15' ' ' ARG . 23.0 mt -41.46 -43.35 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.4 m -66.53 -46.64 75.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.78 -14.73 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.98 120.57 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.77 162.95 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.47 -121.13 9.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.48 114.74 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.701 HG13 HD21 ' A' ' 55' ' ' ASN . 21.3 t -123.7 104.77 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CD2' HG12 ' A' ' 12' ' ' ILE . 6.3 m170 -76.22 101.55 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.427 HD12 HG13 ' A' ' 13' ' ' ILE . 70.6 mt -103.91 120.79 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HG2' HG11 ' A' ' 8' ' ' VAL . 7.7 ttmm -96.4 109.13 21.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -96.29 145.39 25.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.412 ' HE3' HG22 ' A' ' 8' ' ' VAL . 3.4 ttt -155.26 136.02 8.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.41 -46.21 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.769 HG22 HD11 ' A' ' 91' ' ' LEU . 52.0 m -44.54 -58.37 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.997 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -46.83 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -45.43 -37.76 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.36 -31.73 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.997 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 81' ' ' LYS . 58.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -77.36 106.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 m -98.16 121.98 40.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.74 137.14 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.55 136.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 40' ' ' ALA . 20.9 mm -115.13 146.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -109.12 100.23 9.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.595 ' HD2' HG21 ' A' ' 78' ' ' VAL . 86.6 mtt180 -113.92 91.09 20.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -35.1 13.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 3.8 t-80 -118.3 149.98 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.83 -31.42 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 73.1 mtt180 -83.93 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.06 135.94 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -50.81 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.7 mt -106.46 -57.62 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.85 -40.28 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 46.0 p90 -98.3 140.98 31.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.44 124.82 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.55 129.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -127.25 110.17 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.99 32.79 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.86 17.54 74.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.774 HD11 ' HE ' ' A' ' 50' ' ' ARG . 96.2 mt -137.71 113.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.573 HD13 ' CG2' ' A' ' 45' ' ' ILE . 10.9 mt -61.64 143.79 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.97 -46.52 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -119.47 156.72 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -141.85 129.81 21.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 34' ' ' LEU . 11.9 tp -66.83 102.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -63.42 119.84 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.16 43.78 5.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.99 -142.51 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.453 HG22 HG23 ' A' ' 13' ' ' ILE . 27.4 mt -88.64 -51.65 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.68 -67.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.03 -41.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -69.03 -36.23 77.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -68.78 -48.27 50.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.19 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.573 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.1 mm -88.48 135.39 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -126.42 119.73 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.19 145.47 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.46 -28.6 14.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.39 135.21 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.774 ' HE ' HD11 ' A' ' 30' ' ' ILE . 5.6 tpp85 -89.16 134.62 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.51 HD13 HG22 ' A' ' 82' ' ' THR . 8.8 mm -78.53 141.94 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.0 pt -123.9 -24.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -154.86 139.04 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.1 pp -133.33 133.04 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 45.61 33.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.33 42.91 33.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -145.39 118.49 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 124.48 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ALA . 34.9 m -118.77 -12.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -42.7 -24.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -116.77 -41.71 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 63' ' ' PRO . 87.2 m -40.16 139.2 1.05 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.72 139.84 41.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.479 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.7 t60 -38.71 -51.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.11 -67.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.7 tpp85 -50.28 -54.0 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 64' ' ' HIS . 81.2 mt -42.94 -42.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -66.52 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -41.86 71.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 54' ' ' ILE . 95.8 mt -65.03 -61.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.47 -51.53 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.53 -48.38 81.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.6 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.4 mm-40 -57.05 -32.36 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.76 117.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.48 172.83 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.17 -117.33 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.53 119.05 16.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 ' HD2' ' A' ' 15' ' ' ARG . 45.6 t -121.86 97.91 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -80.81 115.43 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.07 113.94 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 8' ' ' VAL . 16.3 ttmt -86.99 105.94 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 51' ' ' ILE . 6.9 p -97.22 146.13 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 13.4 ttt -151.9 139.25 12.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.691 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.73 114.84 3.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.18 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.8 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.742 HG22 HD11 ' A' ' 91' ' ' LEU . 27.9 m -50.88 -59.48 4.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.846 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.5 t80 -43.42 -59.54 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -49.67 -49.41 47.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.56 -40.0 77.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 88' ' ' TYR . 5.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 ' HD3' ' A' ' 81' ' ' LYS . 52.2 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.5 m -99.66 132.33 45.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -116.36 139.1 50.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.49 146.1 50.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.8 128.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.651 HD11 ' CG1' ' A' ' 45' ' ' ILE . 4.1 mm -112.11 159.68 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.681 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.0 m80 -116.38 102.58 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.585 ' CD ' HG21 ' A' ' 78' ' ' VAL . 6.0 mtp-105 -112.84 86.48 8.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.28 22.79 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -121.59 147.42 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.57 -34.86 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -83.32 26.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 61.9 mm-40 -121.78 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -60.61 173.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.706 HD22 ' HE1' ' A' ' 24' ' ' PHE . 5.5 mt -105.85 -54.97 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.62 -37.69 2.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.706 ' HE1' HD22 ' A' ' 22' ' ' LEU . 47.0 p90 -92.21 132.73 36.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.6 t -97.95 130.73 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -107.51 138.64 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -136.64 105.25 5.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t0 71.85 27.33 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.71 68.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.75 123.59 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.553 HD13 ' CG2' ' A' ' 45' ' ' ILE . 13.0 mt -66.01 141.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.77 -58.63 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -111.74 157.65 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -134.37 132.89 39.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.42 146.37 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -83.26 145.75 28.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.97 44.98 19.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.68 -168.5 18.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.681 HG21 ' O ' ' A' ' 14' ' ' HIS . 3.1 mt -77.6 -40.54 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -55.05 -69.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ALA . 37.8 tt0 -36.79 -39.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -69.63 -48.23 60.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -56.29 -44.75 89.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.96 26.32 0.85 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.651 ' CG1' HD11 ' A' ' 13' ' ' ILE . 14.7 mm -78.22 133.13 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -128.22 118.22 22.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -53.02 166.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 -34.61 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -72.41 143.85 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -99.43 146.84 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -90.81 130.29 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' C ' HG22 ' A' ' 59' ' ' VAL . 34.9 pt -113.92 -21.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -159.28 145.63 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 55' ' ' ASN . 1.2 pp -141.43 128.43 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.613 ' HB2' HD12 ' A' ' 54' ' ' ILE . 30.1 m120 54.76 29.37 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.54 21.84 63.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.63 121.01 37.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 m -62.47 115.34 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG22 ' C ' ' A' ' 52' ' ' ILE . 35.6 m -107.09 -13.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -45.35 -24.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.52 -33.52 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 63' ' ' PRO . 83.7 m -49.59 139.22 15.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.81 141.41 44.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.653 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.9 t60 -36.98 -51.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.89 -66.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ILE . 20.2 mmt-85 -52.4 -54.35 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 64' ' ' HIS . 95.1 mt -38.07 -34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.95 -52.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.55 -48.53 79.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.6 mt -55.35 -63.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.2 -51.49 25.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.7 m -56.64 -47.61 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.1 mt-10 -55.75 -35.54 66.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 15' ' ' ARG . . . -56.77 120.87 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -110.21 170.22 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.43 -119.32 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -72.7 116.69 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.585 HG21 ' CD ' ' A' ' 15' ' ' ARG . 59.5 t -116.29 128.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -100.13 129.48 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -134.27 118.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HD3' HG11 ' A' ' 8' ' ' VAL . 15.3 ttmt -94.78 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 p -94.74 149.18 21.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -153.28 137.09 10.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.31 -41.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.85 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 91' ' ' LEU . 5.3 m -53.8 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.9 t80 -41.73 -67.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 mtm105 -48.11 -42.8 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.84 -36.04 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 88' ' ' TYR . 11.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.9 m -79.84 115.73 19.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.4 m -107.65 133.06 52.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.52 140.62 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -112.37 136.36 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 40' ' ' ALA . 44.6 mm -112.16 140.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -108.53 101.47 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 12.5 mtm105 -110.71 81.7 2.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.635 0.731 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -10.28 28.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.1 t-80 -136.68 148.11 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.42 -32.89 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 44.4 mtp85 -84.02 29.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 132.6 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.1 178.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.1 mt -107.56 -45.97 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 -43.47 1.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 34.7 p90 -91.84 138.71 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.0 t -104.39 119.25 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -101.02 132.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -125.25 114.04 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 57.2 28.81 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.19 19.04 56.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.93 118.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 51' ' ' ILE . 10.1 mt -64.79 138.48 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.77 -47.63 2.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.38 151.89 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.6 tt -133.09 131.15 40.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 34' ' ' LEU . 15.5 tp -70.64 111.35 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -71.59 114.11 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.7 37.57 4.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.91 -137.56 4.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.439 HG22 HG23 ' A' ' 13' ' ' ILE . 5.2 mt -96.72 -41.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -56.05 -66.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' N ' HD21 ' A' ' 34' ' ' LEU . 10.3 tm-20 -45.83 -41.66 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.18 86.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.59 29.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -87.61 141.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -132.45 122.54 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.2 158.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.78 -19.46 20.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -84.96 137.58 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -97.01 138.81 33.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 31' ' ' ILE . 16.7 mm -78.86 139.66 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -123.96 -15.72 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -162.58 146.64 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.6 pp -144.19 124.92 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 m120 51.65 26.77 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.5 20.97 53.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -117.6 120.94 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -67.23 109.58 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -105.06 -1.45 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.2 -26.27 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.56 15.99 10.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 92.1 m -101.24 138.48 19.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 111.131 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.75 141.41 45.19 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.515 ' NE2' HD11 ' A' ' 68' ' ' ILE . 6.9 t60 -39.32 -55.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.89 -63.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -55.01 -48.48 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.8 mt -47.16 -40.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 64' ' ' HIS . 23.3 mm -66.74 -34.12 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.57 -29.65 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 54' ' ' ILE . 35.2 mt -77.8 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.52 -44.17 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -67.07 -41.21 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.89 -12.48 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.39 112.53 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 2.9 m-85 -106.29 167.95 9.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.43 -118.45 14.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.8 98.98 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.59 108.68 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.47 119.17 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.68 119.79 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -90.78 109.12 20.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -99.16 147.5 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.96 137.06 9.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.97 6.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.28 -42.89 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.984 HG22 HD11 ' A' ' 91' ' ' LEU . 44.9 m -50.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -38.12 -63.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -48.12 -42.9 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.08 -33.15 75.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.984 HD11 HG22 ' A' ' 87' ' ' THR . 5.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.845 HG11 HD11 ' A' ' 52' ' ' ILE . 45.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.901 0.381 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.9 m -93.21 125.61 37.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -111.74 138.72 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 79' ' ' HIS . 38.9 mm -114.47 139.85 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 14' ' ' HIS . 6.7 mm -117.7 160.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.554 ' N ' HG22 ' A' ' 13' ' ' ILE . 19.6 m-70 -118.36 101.44 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -110.75 84.23 4.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -18.0 37.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 t-80 -126.42 154.22 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.41 -36.63 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -83.9 28.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.4 mm-40 -122.64 139.35 54.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -68.86 -177.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.705 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.7 mt -110.62 -36.76 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.26 -35.83 4.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 51.2 p90 -97.61 142.8 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.66 131.0 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.57 126.19 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -118.12 109.92 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 62.41 32.38 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.7 63.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 49' ' ' HIS . 1.3 mt -137.03 114.36 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 47' ' ' VAL . 18.2 mt -62.79 138.73 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.81 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -108.19 156.78 18.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.1 tt -140.77 129.02 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 34' ' ' LEU . 13.9 tp -68.44 98.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -62.68 94.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.57 -28.74 4.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.485 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -61.02 -148.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.2 mt -87.51 -32.23 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB2' ' HD1' ' A' ' 24' ' ' PHE . . . -55.34 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' HD21 ' A' ' 34' ' ' LEU . 13.4 tt0 -45.7 -50.03 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.38 -33.33 72.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.09 -44.43 23.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.22 40.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 13' ' ' ILE . 33.5 mm -89.5 143.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -130.83 119.88 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 31' ' ' ILE . 33.4 m -68.15 158.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.49 84.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' ILE . 8.9 m170 -92.18 171.1 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -119.38 141.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 80' ' ' ILE . 48.3 mm -89.55 118.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG11 ' A' ' 8' ' ' VAL . 22.0 pt -106.22 -28.36 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -149.61 151.9 34.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.2 pp -148.22 144.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 38.02 36.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.04 38.67 55.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.526 HE22 HD22 ' A' ' 70' ' ' LEU . 18.9 mt-30 -139.0 123.09 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 111.19 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.73 10.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -44.47 -43.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.96 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.652 HG23 ' HD2' ' A' ' 63' ' ' PRO . 99.0 m -44.24 138.79 3.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.76 141.8 46.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.4 t60 -41.32 -55.37 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.81 -58.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.18 -50.93 71.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 64' ' ' HIS . 69.9 mt -44.59 -43.47 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 64' ' ' HIS . 45.8 mm -60.91 -52.85 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.77 -38.62 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 HE22 ' A' ' 57' ' ' GLN . 95.1 mt -67.64 -64.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -42.37 -42.68 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.2 m -70.92 -41.03 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.39 -12.6 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.05 117.17 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 4.5 m-85 -108.24 170.13 8.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.57 -112.85 2.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.25 91.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.13 102.39 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CG ' HD12 ' A' ' 12' ' ' ILE . 6.6 m170 -79.04 137.88 37.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 51' ' ' ILE . 60.9 mt -136.81 115.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.442 ' HZ2' ' CG1' ' A' ' 8' ' ' VAL . 3.5 tptp -85.19 112.78 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -105.33 147.07 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.11 137.16 9.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.534 0.683 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.86 -41.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.55 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.538 HG22 HD11 ' A' ' 91' ' ' LEU . 89.1 m -40.1 -64.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.995 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -43.5 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -42.69 -41.72 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.4 -29.54 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.995 HD12 ' HA ' ' A' ' 88' ' ' TYR . 26.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 81' ' ' LYS . 4.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.902 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -91.68 126.23 36.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 11' ' ' ALA . 49.0 m -120.12 156.96 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 10' ' ' THR . . . -137.79 162.65 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mm -123.45 118.39 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 45' ' ' ILE . 17.3 mm -102.67 144.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -114.45 103.03 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' NH1' ' HB ' ' A' ' 13' ' ' ILE . 37.5 mtt85 -107.19 84.59 1.73 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 -32.83 18.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -128.08 150.39 49.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.39 -31.34 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -83.26 26.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 6.1 mm-40 -122.16 131.5 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -49.58 174.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.2 mt -109.02 -61.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 124.24 -47.07 1.04 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 42.8 p90 -85.81 135.73 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -103.6 125.18 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.68 139.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -134.55 112.84 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.0 27.83 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.02 56.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.488 HD11 ' HE ' ' A' ' 50' ' ' ARG . 86.1 mt -139.54 118.45 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' CG2' ' A' ' 45' ' ' ILE . 14.9 mt -64.58 138.53 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.3 m -116.18 -49.23 2.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -125.81 155.28 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -132.66 127.19 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' CA ' ' A' ' 23' ' ' GLY . 9.2 tp -66.83 102.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.96 115.87 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.26 30.89 6.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.99 -151.25 8.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 6.8 mt -86.52 -57.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -34.78 -62.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -43.57 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -54.7 -42.71 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.64 -43.69 98.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.1 28.39 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.2 mm -82.28 133.5 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -126.43 123.25 37.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.53 140.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.67 37.5 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -118.78 138.54 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HE ' HD11 ' A' ' 30' ' ' ILE . 2.1 tpp85 -89.63 135.6 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG22 ' A' ' 82' ' ' THR . 37.7 mm -82.13 132.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.89 -11.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -156.57 148.44 22.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.547 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.2 pp -149.33 135.71 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 38.18 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 82.46 38.13 13.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.7 mm-40 -140.93 124.6 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.4 p -67.92 120.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.84 20.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 88' ' ' TYR . 2.1 p -57.95 -28.29 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.98 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HD2' ' A' ' 63' ' ' PRO . 94.3 m -43.56 139.01 2.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.73 158.13 58.05 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.68 ' CE1' HD11 ' A' ' 68' ' ' ILE . 2.3 t60 -52.98 -55.1 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.62 -59.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -61.56 -37.05 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 64' ' ' HIS . 57.8 mt -61.24 -30.94 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.68 HD11 ' CE1' ' A' ' 64' ' ' HIS . 28.3 mm -71.44 -47.63 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.33 -36.28 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 54' ' ' ILE . 12.5 mt -67.04 -68.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.47 -47.6 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.9 m -65.45 -39.84 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.1 mt-10 -60.55 -23.22 64.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.38 118.86 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -112.77 167.42 10.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.52 -124.34 8.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -80.53 110.37 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -117.59 129.24 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' CD1' ' A' ' 12' ' ' ILE . 11.0 m-70 -102.23 113.12 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.451 HD12 HG13 ' A' ' 13' ' ' ILE . 23.1 mt -112.4 121.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' A' ' 8' ' ' VAL . 14.1 ttmt -95.12 107.93 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 51' ' ' ILE . 45.3 p -96.36 144.75 26.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -149.56 137.08 11.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 116.54 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -37.87 -38.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.23 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.4 m -41.64 -66.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.642 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -40.35 -62.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -47.26 -38.95 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.13 -29.34 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 88' ' ' TYR . 69.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.529 HG11 ' HE2' ' A' ' 81' ' ' LYS . 93.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.933 0.397 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -87.97 112.48 22.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 m -103.91 137.71 41.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.68 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mt -111.57 141.39 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.806 HG21 ' CD2' ' A' ' 22' ' ' LEU . 24.4 mm -116.27 128.95 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.549 ' O ' HG21 ' A' ' 39' ' ' ILE . 5.9 m80 -84.41 104.74 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -116.74 78.87 9.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.23 13.64 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.651 ' CE1' ' NH2' ' A' ' 19' ' ' ARG . 8.0 t-80 -157.37 157.99 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -90.82 -61.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' A' ' 17' ' ' HIS . 25.2 mtm105 -34.79 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 18' ' ' ALA . 52.4 mm-40 -77.51 136.56 38.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -72.88 -174.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.806 ' CD2' HG21 ' A' ' 13' ' ' ILE . 6.2 mt -106.33 -56.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.34 -32.96 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.714 ' HE2' HD22 ' A' ' 22' ' ' LEU . 50.8 p90 -95.49 140.71 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -107.83 127.47 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -103.33 129.65 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -120.7 110.88 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.76 27.41 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.44 20.07 52.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.458 HG12 ' CG ' ' A' ' 50' ' ' ARG . 36.8 mt -142.04 118.68 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.414 HG22 HG12 ' A' ' 47' ' ' VAL . 20.2 mt -57.94 142.39 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -120.31 -57.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.2 p -121.04 149.87 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.5 tt -124.86 137.2 54.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.7 tp -71.16 114.19 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -77.63 100.01 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.87 40.49 0.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.96 -144.77 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 ' O ' ' A' ' 14' ' ' HIS . 10.2 mt -87.63 -47.97 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -39.85 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.35 -47.42 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -59.13 -34.1 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.97 -44.97 17.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.74 22.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.751 ' CG1' HD11 ' A' ' 13' ' ' ILE . 32.5 mm -70.14 129.23 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -125.55 110.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 31' ' ' ILE . 10.3 m -54.11 164.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.92 -31.86 5.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.78 153.36 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.8 tmm_? -108.27 128.53 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mm -67.66 135.06 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.75 -21.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -153.98 158.1 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.647 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.0 pp -150.54 129.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.48 HD21 HG13 ' A' ' 78' ' ' VAL . 8.9 m120 45.7 32.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.93 28.68 40.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.72 126.13 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -70.94 118.88 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 20.4 m -109.21 -20.0 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' OH ' ' A' ' 88' ' ' TYR . 2.5 p -35.86 -31.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -107.88 -25.47 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.4 m -56.83 138.97 78.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.578 0.704 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.71 139.91 41.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.853 ' HA ' HD12 ' A' ' 67' ' ' ILE . 35.5 t60 -38.24 -59.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.83 -60.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -56.51 -48.05 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 64' ' ' HIS . 76.0 mt -46.36 -48.04 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.52 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.81 -42.06 97.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.09 -68.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt -41.74 -38.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.8 m -72.77 -46.89 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 8.4 mt-10 -61.64 -27.57 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.87 114.48 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 5.8 m-85 -107.43 168.88 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.16 -127.64 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -74.68 109.13 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG13 HD21 ' A' ' 55' ' ' ASN . 59.7 t -107.52 103.79 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -80.63 102.56 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.419 HG13 HG12 ' A' ' 78' ' ' VAL . 97.6 mt -102.24 113.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.529 ' HE2' HG11 ' A' ' 8' ' ' VAL . 16.6 tttt -87.08 106.11 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -97.78 131.83 43.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.64 137.12 22.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.228 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.31 -42.25 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.97 -66.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -47.74 -63.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.39 -62.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -47.99 -40.14 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.12 -21.98 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 88' ' ' TYR . 48.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -111.76 -46.15 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.831 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -78.28 98.56 5.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.27 123.51 5.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -105.35 84.28 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -54.9 116.83 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.56 -75.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.7 t -93.35 132.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -84.6 129.4 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -120.39 125.57 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.6 155.73 29.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -124.43 116.67 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG23 ' CG2' ' A' ' 39' ' ' ILE . 25.1 mm -94.48 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -102.12 100.16 10.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HD2' HD21 ' A' ' 22' ' ' LEU . 58.4 mtp180 -107.58 82.81 1.39 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.92 29.19 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -125.86 154.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.19 -32.39 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mtt85 -83.97 29.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.3 mm-40 -118.63 140.84 49.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -61.06 -179.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.9 mt -109.87 -39.27 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.48 -46.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.844 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.6 p90 -88.77 132.2 34.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 t -99.99 122.1 42.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -103.36 137.88 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -132.27 113.42 13.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 59.44 33.17 22.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.82 17.49 72.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.53 118.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.707 HD13 HG23 ' A' ' 45' ' ' ILE . 14.8 mt -62.61 139.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 1.8 t -118.97 -59.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -112.83 157.09 21.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.1 tt -134.82 132.58 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.46 120.69 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -66.95 127.45 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.22 47.51 44.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.3 -146.0 6.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 13' ' ' ILE . 17.0 mt -92.62 -52.68 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.725 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.91 -60.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -50.6 -42.17 55.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' ILE . 84.3 mtt180 -64.55 -50.92 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.94 73.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 30.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.707 HG23 HD13 ' A' ' 31' ' ' ILE . 29.9 mm -87.85 132.15 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.12 123.24 22.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 32' ' ' CYS . 20.6 m -53.23 154.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.97 -32.53 6.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -80.1 142.63 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -98.33 151.39 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.04 132.47 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.407 HD13 ' SD ' ' A' ' 83' ' ' MET . 30.8 pt -123.4 -15.76 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -161.37 147.59 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.487 ' C ' HD12 ' A' ' 54' ' ' ILE . 2.0 pp -147.39 140.61 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 54' ' ' ILE . 35.4 m120 43.05 30.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.82 39.48 24.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -64.5 115.37 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.16 14.4 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.31 -36.59 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.12 18.87 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 75.9 m -97.19 138.42 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.82 133.98 26.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.749 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.7 t60 -36.22 -54.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.63 -58.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.07 -50.97 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 64' ' ' HIS . 72.9 mt -42.53 -41.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.749 HD11 ' CE1' ' A' ' 64' ' ' HIS . 25.1 mm -64.69 -46.63 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.29 -35.56 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' HD11 ' A' ' 54' ' ' ILE . 18.6 mt -70.02 -67.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HG12 ' A' ' 80' ' ' ILE . 13.1 mt -42.73 -44.44 4.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -59.83 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.71 -29.51 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.35 113.32 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.95 168.18 10.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.86 -111.41 4.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -82.66 96.46 8.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.2 t -102.47 124.54 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -101.67 107.77 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.491 HG12 HD21 ' A' ' 71' ' ' LEU . 35.3 mt -109.04 114.01 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -89.08 108.17 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -98.95 149.97 22.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.565 ' HE3' HG22 ' A' ' 8' ' ' VAL . 12.2 ttt -155.88 139.56 11.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.77 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -41.76 -41.45 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.661 HG22 HD11 ' A' ' 91' ' ' LEU . 4.1 m -54.52 -58.83 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.0 t80 -42.67 -61.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -55.55 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.44 -37.8 57.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt -66.66 -50.67 62.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -90.27 24.12 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.69 -43.28 5.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -136.42 141.19 43.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -148.44 172.53 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.37 154.98 26.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -133.12 168.74 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -116.84 131.35 56.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.91 -86.66 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.04 130.85 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.39 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.7 m -92.62 119.22 31.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 m -102.61 146.56 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.89 37.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -123.98 136.18 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 40' ' ' ALA . 10.7 mm -116.86 147.55 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.51 ' O ' HG21 ' A' ' 39' ' ' ILE . 13.6 m-70 -104.1 101.83 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 9.3 mtp-105 -117.5 81.79 14.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -21.64 33.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -121.81 145.03 48.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 -36.46 17.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -83.97 29.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 54.7 mm-40 -119.48 131.84 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -45.54 171.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt -103.58 -47.36 4.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.44 -43.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE1' HD22 ' A' ' 22' ' ' LEU . 28.9 p90 -97.62 141.68 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.81 124.26 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -109.23 127.97 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -120.13 114.95 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.6 25.68 15.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.89 21.27 47.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 49' ' ' HIS . 54.6 mt -139.49 115.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 51' ' ' ILE . 13.3 mt -60.99 142.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 50.4 t -124.4 -48.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 t -122.71 155.59 36.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -134.7 136.02 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.2 tp -67.61 116.45 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -72.18 106.52 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.83 43.01 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.63 -146.4 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.7 mt -88.92 -48.63 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.0 -63.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -41.45 -50.36 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -65.84 -35.05 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.66 -46.53 83.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.53 27.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.618 ' CG1' HD11 ' A' ' 13' ' ' ILE . 49.8 mm -81.14 142.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -133.99 117.06 16.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 m -61.95 150.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.55 -11.83 59.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 30' ' ' ILE . 7.1 m170 -93.67 165.07 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.38 134.8 53.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 31' ' ' ILE . 34.1 mm -81.47 107.63 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.69 -26.08 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -149.45 156.58 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.484 ' C ' HD12 ' A' ' 54' ' ' ILE . 1.8 pp -148.74 136.57 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ILE . 73.1 m-20 36.96 37.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.54 48.21 14.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -150.28 118.46 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -65.7 115.47 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.67 -0.27 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -23.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.21 -30.39 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 63' ' ' PRO . 78.0 m -54.32 138.01 58.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.8 146.09 58.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.716 ' CE1' HD11 ' A' ' 68' ' ' ILE . 4.5 t60 -46.16 -55.66 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.16 -63.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.13 -52.03 67.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 64' ' ' HIS . 64.0 mt -42.3 -39.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 64' ' ' HIS . 33.8 mm -64.71 -38.15 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.3 mm-40 -67.72 -39.52 84.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 66' ' ' ARG . 36.2 mt -66.12 -68.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -40.93 -52.73 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.0 m -61.32 -44.08 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 3.9 mm-40 -57.31 -31.75 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.15 121.35 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.46 171.8 7.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -115.72 4.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 9.9 tt0 -72.34 110.32 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG21 ' HD3' ' A' ' 15' ' ' ARG . 87.3 t -113.26 100.37 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 11.4 m170 -77.95 138.65 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -140.39 120.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -94.08 107.34 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 132.36 45.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.479 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.8 ttt -142.52 139.57 17.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.4 Cg_endo -69.78 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.4 -34.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -58.11 -66.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 91' ' ' LEU . 8.1 m -53.21 -60.85 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.883 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.6 t80 -42.9 -58.42 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -51.61 -50.18 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.58 -36.25 73.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.4 mt -67.19 -50.34 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -90.06 22.32 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.4 -115.45 3.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.539 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -113.06 164.23 13.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m -114.35 151.11 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.86 171.38 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -117.59 -51.85 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -173.44 118.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.3 -42.12 0.22 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 t -128.39 136.62 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -81.02 103.75 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.8 m -92.69 130.05 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.81 146.35 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -118.55 134.79 61.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 HD11 ' CG1' ' A' ' 45' ' ' ILE . 47.1 mm -108.87 135.51 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.568 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.6 m-70 -97.07 102.23 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' HD21 ' A' ' 22' ' ' LEU . 55.3 mtp180 -111.45 81.4 3.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.86 27.07 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -122.54 148.3 45.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.8 -36.76 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -83.91 29.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 36.3 mm-40 -116.93 128.27 55.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -48.89 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.7 mt -104.76 -60.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.54 -42.52 1.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 50.2 p90 -91.23 132.8 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -97.45 121.08 38.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -103.17 139.9 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -135.93 122.31 20.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 53.87 25.67 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.33 18.75 56.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 50' ' ' ARG . 70.2 mt -138.27 121.51 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 HG12 ' A' ' 47' ' ' VAL . 25.3 mt -62.45 136.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -118.6 -58.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -110.73 155.27 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.4 tt -135.63 129.7 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -66.81 137.84 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -80.26 137.93 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.21 44.27 96.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.54 -164.31 13.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.0 mt -80.06 -39.86 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -51.83 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -42.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -69.87 -35.95 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -70.85 -41.54 62.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.55 35.16 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG1' HD11 ' A' ' 13' ' ' ILE . 11.7 mm -92.65 137.35 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -134.04 115.11 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 31' ' ' ILE . 26.7 m -54.96 151.31 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.51 -20.39 49.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -84.16 133.47 34.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' MET . 11.8 tpt180 -85.91 130.53 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CD1' HG22 ' A' ' 82' ' ' THR . 20.3 mm -78.27 138.05 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.2 -12.87 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.06 148.08 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.682 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.5 pp -146.48 132.86 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.713 ' ND2' HG13 ' A' ' 78' ' ' VAL . 35.1 m120 49.49 28.45 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.77 39.97 16.0 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -142.7 126.49 17.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -67.33 115.07 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -106.77 -5.45 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 p -53.35 -29.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 24.83 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.055 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.7 m -117.99 139.19 26.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 148.82 65.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.803 ' CE1' HD11 ' A' ' 68' ' ' ILE . 32.4 t60 -45.66 -54.75 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -56.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 6.9 tpt180 -64.94 -49.17 71.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 64' ' ' HIS . 83.3 mt -45.05 -43.69 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.803 HD11 ' CE1' ' A' ' 64' ' ' HIS . 37.5 mm -65.73 -45.52 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.89 -41.97 92.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.682 ' HB3' HD11 ' A' ' 54' ' ' ILE . 30.1 mt -65.49 -66.22 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 80' ' ' ILE . 12.7 mt -43.02 -48.56 6.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.2 m -61.84 -45.69 92.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.4 mt-10 -55.52 -31.47 62.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.82 123.02 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 54.9 m-85 -120.56 165.95 14.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.65 -106.33 1.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -95.37 100.39 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG13 ' ND2' ' A' ' 55' ' ' ASN . 85.8 t -104.65 117.4 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -90.27 102.98 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG12 HD21 ' A' ' 71' ' ' LEU . 90.5 mt -103.51 111.19 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -86.28 106.69 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.401 HG22 ' CD1' ' A' ' 51' ' ' ILE . 64.4 p -98.16 150.9 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' ARG . 1.1 tpt -156.01 137.03 9.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 115.52 4.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.7 -33.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -65.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.7 m -57.45 -57.52 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -45.84 -56.13 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.97 -45.59 74.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.11 -32.25 73.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 88' ' ' TYR . 41.6 mt -72.42 -48.93 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 p -72.13 -11.79 60.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . . . -89.74 -81.62 1.34 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 93' ' ' GLY . 5.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -91.1 171.17 9.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -69.38 139.85 54.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.86 -118.73 0.49 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t 69.41 44.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -105.18 95.49 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.3 -87.34 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG22 ' HE3' ' A' ' 83' ' ' MET . 66.1 t -81.69 123.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.1 m -86.21 124.83 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.9 m -110.8 142.53 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.57 155.42 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mm -127.7 116.17 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 17.5 mm -100.6 132.21 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.55 100.14 11.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HD2' HD21 ' A' ' 22' ' ' LEU . 43.4 mtp180 -107.37 83.93 1.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.44 24.15 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -124.6 139.88 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.94 -30.98 31.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 14.6 mtp180 -83.75 29.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 5.6 mm-40 -120.19 137.46 54.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -56.75 173.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.885 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.7 mt -105.28 -57.64 2.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.01 -38.74 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.885 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 54.5 p90 -93.28 122.64 35.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -86.76 133.59 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.71 144.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.38 122.18 12.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 56.66 27.03 11.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.15 22.64 54.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 50' ' ' ARG . 74.7 mt -139.17 121.17 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.72 HG22 HG12 ' A' ' 47' ' ' VAL . 31.8 mt -67.87 143.38 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.0 t -117.37 -60.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -116.71 161.98 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD21 ' HB3' ' A' ' 40' ' ' ALA . 4.0 tt -135.42 131.92 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.8 tp -69.92 100.05 1.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -60.01 123.27 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.67 29.7 10.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.31 -140.08 5.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 13' ' ' ILE . 8.8 mt -95.65 -50.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.861 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -35.84 -59.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.04 -44.65 67.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -59.61 -54.49 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.44 96.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.46 31.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.577 ' HB ' ' HB1' ' A' ' 40' ' ' ALA . 43.6 mm -73.97 130.1 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -123.11 112.89 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.72 HG12 HG22 ' A' ' 31' ' ' ILE . 28.9 m -55.48 151.0 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.86 -26.87 12.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -74.92 131.25 40.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 30' ' ' ILE . 4.6 tpp85 -84.29 133.19 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.62 142.93 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.2 pt -126.13 -28.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -153.98 131.24 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.502 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.5 pp -123.85 144.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ILE . 67.8 m-80 37.37 29.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.86 42.54 12.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ILE . 21.1 mm-40 -145.66 130.13 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.8 p -64.66 123.21 18.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG12 ' A' ' 54' ' ' ILE . 30.0 m -121.38 -12.64 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -44.9 -24.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.05 -34.94 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HD2' ' A' ' 63' ' ' PRO . 84.9 m -48.11 139.18 10.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.722 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.78 134.45 27.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.635 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -36.11 -53.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.51 -51.58 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -69.71 -46.88 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.2 mt -47.16 -42.37 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 64' ' ' HIS . 11.2 mm -67.27 -40.42 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.19 -44.33 92.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.24 -67.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.0 mt -41.74 -44.92 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.6 m -65.25 -50.59 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.566 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 5.3 mm-40 -56.57 -34.87 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.33 126.51 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.9 m-85 -114.51 172.2 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.4 -121.48 14.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.425 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 131.9 43.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 80' ' ' ILE . 94.4 t -129.44 103.98 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -82.75 103.55 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.598 HG13 HG12 ' A' ' 78' ' ' VAL . 85.7 mt -109.26 110.47 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -86.8 106.07 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -97.54 135.94 38.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.649 ' HE3' HG22 ' A' ' 8' ' ' VAL . 9.1 ttt -139.8 140.13 23.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.2 Cg_endo -69.71 114.69 3.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.07 -42.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.07 -68.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.647 HG22 HD11 ' A' ' 91' ' ' LEU . 48.1 m -53.89 -64.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.1 t80 -37.57 -61.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -50.72 -47.67 59.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.66 -39.43 77.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 88' ' ' TYR . 7.5 mt -66.48 -54.53 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.1 t -91.87 26.22 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -44.54 140.2 4.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -154.73 114.83 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -77.29 132.75 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.59 58.1 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -153.44 127.17 8.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -158.27 134.3 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.39 -72.19 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.4 t -78.24 134.13 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 111.127 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 m -82.39 123.87 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.1 m -116.52 128.8 55.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.39 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt -119.74 140.77 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 40' ' ' ALA . 4.1 mm -118.44 150.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' O ' HG21 ' A' ' 39' ' ' ILE . 38.2 m-70 -103.62 101.27 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' NH1' HG21 ' A' ' 13' ' ' ILE . 37.2 mtt-85 -115.04 83.38 9.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -19.64 35.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.3 t-80 -127.66 137.49 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.62 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 43.2 mtp85 -84.0 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 4.5 mm-40 -117.87 146.92 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -52.99 -177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 15.0 mt -117.32 -51.25 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.11 -43.99 1.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 36.9 p90 -93.05 123.03 36.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 68.5 m -84.66 120.78 26.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 31' ' ' ILE . 84.6 t -107.51 128.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -119.5 112.26 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.25 29.36 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.12 16.97 58.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -134.03 113.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 51' ' ' ILE . 18.2 mt -64.74 130.27 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 39.2 t -109.74 -51.23 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 p -120.42 161.1 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD13 ' NH2' ' A' ' 46' ' ' ARG . 2.5 tt -137.18 135.75 37.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 34' ' ' LEU . 5.8 tp -68.99 116.16 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -74.01 110.32 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.21 36.83 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -121.22 -149.3 8.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.515 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.3 mt -89.64 -46.7 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.59 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.38 -45.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -72.42 -36.17 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -64.37 -48.03 78.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.78 32.99 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.67 ' CG1' HD11 ' A' ' 13' ' ' ILE . 28.0 mm -94.02 132.73 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.58 ' NH2' HD13 ' A' ' 34' ' ' LEU . 8.0 mmp_? -130.38 124.78 32.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.8 162.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.87 -34.48 4.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -78.97 134.13 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 9.7 ttm180 -89.54 143.35 26.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 31' ' ' ILE . 35.0 mm -82.37 131.86 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 pt -122.49 -12.68 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.23 135.53 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -137.75 145.99 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.655 HD21 HG13 ' A' ' 78' ' ' VAL . 12.9 m120 38.25 34.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.73 42.52 53.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . 8.7 mt-30 -143.68 121.38 11.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -63.7 113.14 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.49 10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.65 -25.74 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.91 -37.86 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 63' ' ' PRO . 96.7 m -37.8 139.06 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.69 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 139.64 40.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.766 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.3 t60 -40.34 -57.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.73 -56.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -62.69 -47.03 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 64' ' ' HIS . 86.1 mt -46.31 -44.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 64' ' ' HIS . 20.8 mm -62.22 -42.72 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.29 -38.15 85.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 54' ' ' ILE . 48.2 mt -69.91 -66.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -42.62 -41.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.9 m -64.95 -48.68 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 51.8 mm-40 -57.02 -34.55 68.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 55' ' ' ASN . . . -62.7 114.54 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.39 164.04 12.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.55 -110.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.03 124.24 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG13 HD21 ' A' ' 55' ' ' ASN . 55.2 t -125.76 104.86 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.1 109.45 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.506 HG13 HG12 ' A' ' 78' ' ' VAL . 94.9 mt -112.38 114.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -89.55 106.31 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 p -96.13 146.13 24.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.3 tpt -146.56 136.27 11.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 122.04 8.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 89' ' ' ARG . . . -45.35 -39.07 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.6 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 HD11 ' A' ' 91' ' ' LEU . 32.8 m -52.09 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.744 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -44.01 -57.66 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 15.2 mmm180 -48.51 -47.04 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt -69.92 -35.87 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.5 p -93.64 17.02 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.51 -176.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.947 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -126.39 42.13 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 m -87.59 176.57 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.24 -102.39 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -99.92 105.19 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -139.82 134.01 31.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.48 -57.66 4.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG22 ' CE ' ' A' ' 83' ' ' MET . 51.9 t -104.35 121.06 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -81.12 118.2 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 m -104.88 125.41 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.07 149.08 48.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.07 134.67 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 45' ' ' ILE . 4.9 mm -114.56 152.08 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.528 ' O ' HG21 ' A' ' 39' ' ' ILE . 55.2 m-70 -110.71 105.05 13.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 12.5 mtp-105 -116.5 87.57 21.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.19 12.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.222 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.5 t-80 -115.7 149.55 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.78 18.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 98.0 mtt180 -83.94 29.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 9.5 mm-40 -122.16 126.25 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -45.39 169.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 24' ' ' PHE . 5.6 mt -99.9 -46.86 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.97 -44.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.0 p90 -90.63 133.05 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -95.71 119.0 33.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 31' ' ' ILE . 55.6 t -109.61 136.39 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -129.58 110.8 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.33 29.3 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.03 23.43 49.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.09 116.23 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 47' ' ' VAL . 11.8 mt -68.74 142.93 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.91 -47.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -118.11 161.96 18.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tt -142.52 131.76 23.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.34 109.18 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -68.18 105.16 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.44 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.76 -148.56 7.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.6 mt -88.91 -42.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -49.07 -68.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' ALA . 30.7 tt0 -36.66 -49.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -66.79 -37.9 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -63.82 -47.82 82.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.8 27.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 13' ' ' ILE . 37.4 mm -81.12 142.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -136.42 113.34 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG12 HG22 ' A' ' 31' ' ' ILE . 35.7 m -54.5 160.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.57 -12.31 56.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -95.49 133.19 39.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -85.14 142.43 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.503 ' CD1' HG22 ' A' ' 82' ' ' THR . 49.5 mm -86.91 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 pt -123.57 -15.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 81' ' ' LYS . 29.4 tt0 -155.04 144.24 21.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.3 pp -145.1 142.14 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' ILE . 69.4 m-80 36.75 38.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.74 49.87 27.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -149.13 124.5 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -67.87 102.79 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.37 11.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.847 HG21 ' OH ' ' A' ' 88' ' ' TYR . 12.4 p -52.67 -26.65 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.79 -33.83 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.646 HG23 ' HD2' ' A' ' 63' ' ' PRO . 97.1 m -44.71 138.76 3.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.78 138.63 38.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.789 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.6 t60 -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -37.71 -53.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.19 -42.11 84.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 64' ' ' HIS . 75.0 mt -50.43 -41.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.789 HD11 ' CE1' ' A' ' 64' ' ' HIS . 50.1 mm -64.92 -44.92 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.21 -41.5 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.34 -66.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 67' ' ' ILE . 9.4 mt -43.9 -53.07 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.3 m -59.62 -45.72 91.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 6.7 mm-40 -64.72 -17.97 64.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.59 113.61 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -106.14 167.86 9.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.51 -118.63 14.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 32.8 tt0 -78.54 119.9 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.7 99.97 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 51.9 m-70 -80.08 104.33 10.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.1 mt -108.18 122.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' A' ' 8' ' ' VAL . 17.7 tttt -98.52 106.11 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 51' ' ' ILE . 58.2 p -97.37 153.17 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 8.6 ttt -153.26 140.0 12.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.78 121.04 7.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -45.25 -40.05 7.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.93 -65.95 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 91' ' ' LEU . 23.8 m -51.0 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.884 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.0 t80 -38.31 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -52.05 -42.05 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.35 -31.48 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 88' ' ' TYR . 6.2 mt -74.57 -33.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -93.97 23.76 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.64 -78.4 1.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -91.25 103.13 15.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -117.21 145.37 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.15 98.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -52.36 169.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -126.07 47.54 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.62 -45.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG11 HD11 ' A' ' 52' ' ' ILE . 76.9 t -103.76 138.46 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -85.04 128.96 34.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -112.01 131.26 55.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.75 126.34 36.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mt -105.63 134.64 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.727 HD11 ' CG1' ' A' ' 45' ' ' ILE . 34.4 mm -111.62 154.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.504 ' O ' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -107.81 100.12 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -111.05 80.42 2.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.91 33.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -151.4 144.77 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.47 -59.79 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 22.7 mmm180 -34.4 -32.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 8.5 mm-40 -80.86 131.88 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -67.02 -174.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.615 HD22 ' HE1' ' A' ' 24' ' ' PHE . 4.9 mt -104.55 -42.34 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.87 -41.22 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' HE1' HD22 ' A' ' 22' ' ' LEU . 38.8 p90 -87.41 134.29 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.76 127.59 48.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.32 128.88 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -125.61 102.99 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' CE1' ' A' ' 64' ' ' HIS . 3.2 t70 74.14 36.75 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.36 18.08 79.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -139.79 119.92 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 HG12 ' A' ' 47' ' ' VAL . 17.8 mt -61.68 138.86 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.39 -64.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -111.69 157.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.812 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.5 tt -129.14 132.49 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.6 tp -68.78 132.02 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 17.8 ttp-105 -78.18 149.33 33.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.87 39.24 47.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.25 -146.17 8.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 14' ' ' HIS . 6.0 mt -95.89 -43.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.812 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -49.54 -65.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.32 -50.76 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -61.54 -39.34 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.6 -48.06 71.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.73 8.45 3.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' HD11 ' A' ' 13' ' ' ILE . 18.4 mm -56.73 132.57 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -125.46 116.36 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 31' ' ' ILE . 31.1 m -56.8 168.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.01 -38.08 2.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -73.04 137.18 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -90.4 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.66 HG22 HG21 ' A' ' 59' ' ' VAL . 41.6 mm -80.77 133.83 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.7 HD13 ' SD ' ' A' ' 83' ' ' MET . 17.7 pt -117.14 -26.04 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -145.16 157.11 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.721 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -153.18 128.32 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.653 HD21 HG13 ' A' ' 78' ' ' VAL . 7.9 m120 43.04 34.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.91 41.37 23.16 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.53 134.69 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -71.75 114.48 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.66 HG21 HG22 ' A' ' 51' ' ' ILE . 34.6 m -107.51 -12.26 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.61 -23.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.85 -29.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.661 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.4 m -49.15 139.07 13.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.74 133.44 25.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.536 ' CE1' ' H ' ' A' ' 28' ' ' ASP . 23.6 t60 -34.73 -49.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.14 -69.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.6 tpp85 -49.01 -51.54 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 64' ' ' HIS . 94.8 mt -41.27 -39.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.32 -45.93 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.83 -38.86 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.44 -70.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.7 mt -39.1 -47.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.1 m -62.74 -49.57 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 44.2 mt-10 -57.57 -36.27 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 113.92 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 8.6 m-85 -109.36 161.25 15.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.98 -122.65 10.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -75.06 104.26 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.653 HG13 HD21 ' A' ' 55' ' ' ASN . 57.4 t -103.34 99.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.91 105.64 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.1 mt -105.6 116.99 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -89.61 109.06 20.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.7 p -99.03 148.67 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.7 ' SD ' HD13 ' A' ' 52' ' ' ILE . 12.0 ttt -156.64 139.82 11.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.83 -41.27 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.86 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 m -47.73 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.918 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.0 t80 -41.58 -61.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -46.8 -55.46 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.73 -36.75 48.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.7 mt -67.75 -53.56 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -90.9 27.47 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -102.18 172.66 22.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.92 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m -95.87 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.819 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -83.04 123.27 29.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.16 -114.44 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -86.62 153.27 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -152.72 124.38 7.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.69 -70.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HE3' ' A' ' 83' ' ' MET . 96.6 t -112.13 127.6 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.125 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 m -83.55 117.94 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 m -103.21 134.74 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.47 148.56 51.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.91 126.42 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.537 HD11 ' CG1' ' A' ' 45' ' ' ILE . 20.8 mm -105.65 157.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' O ' HG21 ' A' ' 39' ' ' ILE . 7.9 m80 -125.31 106.35 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -115.69 92.49 33.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.93 37.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.402 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -136.83 147.12 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.3 -32.05 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 27.6 mtt-85 -83.99 29.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 40.1 mm-40 -124.04 136.68 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -50.0 171.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.784 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.5 mt -107.63 -46.7 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.29 -46.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.784 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 40.4 p90 -87.41 134.66 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.4 m -102.07 122.69 44.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.3 t -108.23 135.23 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -126.9 116.71 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.54 25.38 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.87 20.65 42.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.6 mt -138.91 114.49 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 51' ' ' ILE . 12.9 mt -61.68 138.99 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -121.64 -46.57 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m -122.69 156.66 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 40' ' ' ALA . 1.3 tt -137.98 127.83 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.55 94.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 -13.72 27.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -81.57 -142.98 3.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.2 mt -89.46 -40.46 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 111.091 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.869 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -52.12 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 5.6 tm-20 -46.88 -43.03 18.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.38 -22.22 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.64 -46.88 7.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.03 19.98 1.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.537 ' CG1' HD11 ' A' ' 13' ' ' ILE . 17.5 mm -74.79 143.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -129.4 130.48 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.45 162.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.92 -16.84 13.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -87.28 144.88 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -100.93 141.66 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.854 HG22 HG21 ' A' ' 59' ' ' VAL . 23.7 mm -82.83 133.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.557 ' C ' HG22 ' A' ' 59' ' ' VAL . 44.7 pt -121.25 -13.32 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' N ' HG22 ' A' ' 59' ' ' VAL . 11.4 tt0 -159.37 150.19 19.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.635 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -149.0 133.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 54' ' ' ILE . 76.0 m-20 42.77 33.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.38 32.79 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' ILE . 34.1 mt-30 -133.96 121.76 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -60.81 116.79 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.854 HG21 HG22 ' A' ' 51' ' ' ILE . 35.3 m -108.51 -5.43 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.5 p -51.69 -22.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.87 -28.97 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.668 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.5 m -47.88 139.15 9.47 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.541 0.686 . . . . 0.0 111.204 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.77 140.46 42.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.516 ' HA ' HD12 ' A' ' 67' ' ' ILE . 23.7 t60 -35.92 -53.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.3 -66.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -48.09 -57.18 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 64' ' ' HIS . 84.7 mt -40.04 -37.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -75.7 -53.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.85 -57.66 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 70' ' ' LEU . 14.3 mt -47.05 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -44.78 -66.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.9 m -44.76 -46.67 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 44.5 mt-10 -58.24 -33.22 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.15 117.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -103.23 171.01 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.74 -121.89 14.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.33 129.67 38.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.599 HG21 ' NE ' ' A' ' 15' ' ' ARG . 54.2 t -133.43 105.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.41 114.49 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.1 mt -116.54 110.56 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -85.2 106.82 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 p -96.49 145.7 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 52' ' ' ILE . 9.6 ttt -153.44 140.07 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.22 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.53 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' LEU . 8.8 m -53.61 -68.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.959 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 t80 -37.82 -53.5 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -57.56 -40.28 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' THR . 15.0 mt -68.46 -26.94 65.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.959 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.8 mt -75.78 -48.07 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -73.08 -11.37 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.42 75.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 110.955 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -110.46 116.82 32.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -172.36 125.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.51 -171.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 t -107.19 161.56 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 t -145.37 144.15 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.31 -72.62 0.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 t -81.09 131.87 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -79.63 115.39 19.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.0 m -108.34 141.49 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.73 143.46 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 79' ' ' HIS . 14.4 mm -116.8 128.55 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 40' ' ' ALA . 18.1 mm -104.83 153.58 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' ILE . 25.1 m-70 -113.92 102.49 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.794 ' HD3' HD21 ' A' ' 22' ' ' LEU . 9.6 mtm180 -110.0 81.18 2.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.71 29.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -156.01 142.63 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -77.75 -57.42 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 18' ' ' ALA . 27.8 mmt180 -34.75 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.7 mm-40 -80.91 142.71 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -71.87 -174.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 15' ' ' ARG . 6.4 mt -107.56 -46.44 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 119.55 -46.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HE1' HD22 ' A' ' 22' ' ' LEU . 41.0 p90 -85.91 144.73 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -113.8 125.34 53.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.61 136.04 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.53 113.71 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 57.62 28.33 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.71 17.7 57.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -140.06 119.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 47' ' ' VAL . 24.2 mt -59.27 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.05 -62.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 t -116.54 155.61 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.8 tt -128.42 131.97 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.633 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.8 tp -70.08 112.16 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -66.98 123.46 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.79 38.08 9.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.71 -150.42 8.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -89.66 -38.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.753 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -50.83 -63.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -46.97 -39.4 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -68.0 -43.57 78.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.88 95.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.43 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.02 28.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.583 HG23 HD13 ' A' ' 31' ' ' ILE . 16.7 mm -83.39 138.89 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -136.61 127.95 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.588 HG12 HG22 ' A' ' 31' ' ' ILE . 14.2 m -59.58 170.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.79 -31.81 3.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -79.2 142.27 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -96.32 154.1 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -90.83 135.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.33 -20.2 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -155.94 153.35 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.542 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.9 pp -150.0 135.09 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.561 HD21 HG13 ' A' ' 78' ' ' VAL . 58.5 m-80 37.15 33.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 80.24 38.56 18.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' ILE . 12.4 mm-40 -140.74 122.78 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.8 p -71.82 114.86 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.25 6.88 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.6 -20.73 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.12 -21.42 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 85.7 m -68.59 139.19 91.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.5 Cg_endo -69.77 139.65 40.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.831 ' HA ' HD12 ' A' ' 67' ' ' ILE . 73.0 t60 -42.7 -52.35 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.37 -54.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -43.14 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.4 mt -47.18 -35.67 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.536 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -67.79 -39.47 81.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.9 mt -69.04 -67.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.26 -46.68 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -68.46 -35.59 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 5.3 mm-40 -66.23 -18.3 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.63 116.59 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.47 167.78 9.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.66 -119.24 16.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.44 118.38 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG13 HD21 ' A' ' 55' ' ' ASN . 57.8 t -123.49 111.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.558 ' HA ' HD13 ' A' ' 12' ' ' ILE . 13.5 m-70 -89.91 101.86 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.6 mt -103.89 126.36 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.82 106.07 17.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -98.76 150.33 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 7.9 ttt -159.19 139.76 9.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.5 Cg_endo -69.74 115.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.85 -38.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.84 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 91' ' ' LEU . 85.6 m -52.1 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.821 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.6 t80 -37.91 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -48.52 -44.99 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.75 -28.15 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.848 HD11 HG22 ' A' ' 87' ' ' THR . 9.5 mt -78.38 -48.28 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 57.5 p -69.85 -27.49 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.81 -66.45 2.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p 46.33 42.07 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -108.35 164.63 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.59 131.61 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -108.35 39.59 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.835 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 99.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.4 -57.06 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.3 t -106.05 145.52 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.2 m -97.0 139.61 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -124.14 146.53 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.36 140.26 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mm -113.16 145.15 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 45' ' ' ILE . 7.1 mm -120.97 153.79 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' O ' HG21 ' A' ' 39' ' ' ILE . 1.3 m80 -108.37 100.5 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.742 ' HD3' HG21 ' A' ' 78' ' ' VAL . 8.0 mtp-105 -115.5 86.71 15.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.85 32.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.404 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -127.9 139.07 52.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.04 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mtp180 -84.01 29.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 23.8 mm-40 -120.72 135.48 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -47.77 176.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 24' ' ' PHE . 8.2 mt -107.13 -47.16 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.43 -45.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.448 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.6 ' CE1' HD22 ' A' ' 22' ' ' LEU . 44.9 p90 -89.73 122.72 33.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -82.08 121.42 26.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.03 135.21 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -125.82 120.43 30.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.78 27.07 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.41 20.04 46.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mt -137.27 116.27 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.537 HG22 HG12 ' A' ' 47' ' ' VAL . 18.3 mt -62.89 140.39 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -124.01 -46.29 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -125.31 161.09 27.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.0 tt -135.08 136.56 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.7 tp -69.93 112.8 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -55.18 136.86 48.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.94 52.85 36.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.05 -153.77 9.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 14' ' ' HIS . 9.9 mt -85.31 -47.19 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.63 -62.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.76 -42.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -74.03 -36.09 64.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -67.67 -45.8 73.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.78 28.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.623 HD11 HD11 ' A' ' 13' ' ' ILE . 18.7 mm -80.43 134.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -128.8 116.22 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 31' ' ' ILE . 32.2 m -57.38 155.41 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.8 -35.93 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -77.68 140.58 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 7.6 ttm180 -90.44 145.61 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 48.6 mm -86.73 120.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.9 pt -107.45 -24.73 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -147.4 148.71 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.1 pp -147.0 136.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' A' ' 74' ' ' ALA . 73.9 m-80 42.45 40.92 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.05 43.01 74.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -140.95 124.45 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -71.0 110.3 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.77 36.13 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 3.9 p -67.81 -22.04 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' THR . . . -116.9 -40.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 63' ' ' PRO . 93.7 m -34.21 137.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.74 140.49 42.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' NE2' HD11 ' A' ' 68' ' ' ILE . 1.8 t60 -39.45 -54.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -37.94 -53.87 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -69.45 -47.51 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.95 -41.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' NE2' ' A' ' 64' ' ' HIS . 5.2 mm -62.69 -51.18 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.7 -33.7 48.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HB3' HD11 ' A' ' 54' ' ' ILE . 25.1 mt -69.46 -60.87 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.08 -47.18 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.5 m -55.6 -41.2 73.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.51 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 7.8 mt-10 -62.39 -24.56 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . . . -76.04 134.86 39.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 4.1 m-85 -120.02 168.95 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' ARG . . . 42.95 -107.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -72.82 106.84 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.742 HG21 ' HD3' ' A' ' 15' ' ' ARG . 63.9 t -111.02 102.3 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.66 142.55 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.3 mt -147.0 112.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.57 109.34 20.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 p -95.08 143.39 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -151.43 137.12 10.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.46 10.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.82 -44.0 38.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.17 -66.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.658 HG22 HD11 ' A' ' 91' ' ' LEU . 64.2 m -45.88 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.981 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -41.14 -61.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -48.68 -41.96 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.82 -21.36 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.981 HD12 ' HA ' ' A' ' 88' ' ' TYR . 17.2 mt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 t -71.27 0.83 7.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.88 -59.82 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 48.18 42.13 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.61 169.45 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.84 57.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -83.93 157.83 21.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -119.66 38.51 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.91 -39.45 0.82 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -94.7 126.65 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -81.11 114.73 20.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 m -107.53 142.85 36.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . -143.1 148.48 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -123.14 130.77 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 40' ' ' ALA . 3.8 mm -111.24 159.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -126.34 101.23 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.943 ' NE ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -111.92 88.94 10.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.77 31.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.282 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -123.41 142.8 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.16 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 80.0 mtt180 -83.87 29.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 17.0 mm-40 -120.89 137.93 54.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -50.34 167.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 12.9 mt -105.21 -38.38 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.22 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.608 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 48.1 p90 -85.79 133.84 33.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -98.29 119.29 36.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.95 135.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -130.43 123.69 30.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.09 25.41 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.71 19.11 53.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -138.66 120.39 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG22 HG12 ' A' ' 47' ' ' VAL . 13.1 mt -66.35 139.31 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.08 -47.22 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -123.87 160.08 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.1 tt -138.55 132.33 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 34' ' ' LEU . 7.9 tp -66.66 126.69 29.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -80.43 116.92 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.99 45.15 5.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.49 -141.13 5.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.08 -46.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -46.76 -64.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -41.26 -48.75 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -38.93 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.73 -44.71 97.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.436 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 131.83 27.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD11 HD11 ' A' ' 13' ' ' ILE . 45.7 mm -83.03 136.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.23 113.6 12.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 31' ' ' ILE . 7.2 m -56.21 149.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.81 -19.58 51.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -95.02 136.94 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 10.2 ttt180 -89.1 144.63 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 82' ' ' THR . 7.3 mm -82.44 133.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.3 pt -118.88 -14.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -161.08 152.58 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLN . 2.2 pp -146.73 140.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ILE . 66.1 m-80 35.66 31.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 78.75 41.99 14.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.2 mm100 -142.57 125.02 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.3 t -61.4 123.02 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.37 -6.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.04 -31.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.06 25.75 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 63' ' ' PRO . 81.7 m -110.77 139.31 21.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.569 0.699 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.6 Cg_endo -69.82 143.67 51.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.229 . . . . 0.0 112.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.724 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.1 t60 -42.96 -52.41 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -59.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.63 -50.23 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 64' ' ' HIS . 77.1 mt -49.17 -50.5 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.724 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.6 mm -57.29 -44.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -46.24 90.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD13 HD11 ' A' ' 54' ' ' ILE . 30.4 mt -59.22 -68.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.83 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -56.41 -37.21 69.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.84 -15.74 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.68 116.72 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -107.05 163.94 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.44 -122.98 24.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.34 123.49 23.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.943 HG21 ' NE ' ' A' ' 15' ' ' ARG . 55.8 t -130.59 109.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -86.06 118.36 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.4 mt -118.45 112.01 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 81' ' ' LYS . 2.6 ttmp? -88.63 106.57 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.424 HG22 HD13 ' A' ' 51' ' ' ILE . 1.7 p -95.37 153.08 17.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -151.22 137.13 11.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ALA . 53.7 Cg_endo -69.77 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.353 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . . . -36.44 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -49.59 -65.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.6 t80 -39.69 -56.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -54.64 -47.6 73.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 90' ' ' LEU . 13.2 mt -62.71 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 88' ' ' TYR . 43.2 mt -71.53 -56.03 6.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -70.34 -3.07 15.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.15 169.32 38.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m -57.12 98.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 m -64.6 -55.36 20.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.18 -102.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t -87.12 118.59 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -65.7 159.31 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.54 -77.74 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 81' ' ' LYS . 45.3 t -106.45 138.15 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.139 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 m -84.12 140.16 31.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -125.64 128.47 47.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 149.8 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -121.31 130.42 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 40' ' ' ALA . 26.4 mm -109.24 148.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.5 m80 -108.72 100.9 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.672 ' NH2' HG11 ' A' ' 78' ' ' VAL . 24.2 mtt180 -114.67 88.84 17.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -31.05 21.03 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 3.6 t-80 -120.46 150.2 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.96 -33.39 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -83.9 29.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 10.3 mm-40 -121.14 132.72 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.32 168.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.9 mt -102.6 -45.31 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.76 -49.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 45.6 p90 -88.23 120.02 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 t -83.36 118.6 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.4 t -107.86 145.69 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -142.99 118.27 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.32 26.63 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.86 21.79 51.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' CG1' ' HG2' ' A' ' 50' ' ' ARG . 70.2 mt -140.95 121.01 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD13 HG23 ' A' ' 45' ' ' ILE . 12.7 mt -67.8 140.39 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.75 -42.86 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -132.09 156.7 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD11 ' HB ' ' A' ' 45' ' ' ILE . 2.5 tt -130.75 135.92 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD23 ' HA3' ' A' ' 38' ' ' GLY . 5.7 tp -67.54 110.44 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -66.63 113.41 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.9 42.54 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.571 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -122.84 -142.91 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.45 HG21 ' O ' ' A' ' 14' ' ' HIS . 7.3 mt -98.63 -42.32 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -50.69 -58.94 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -43.24 -39.62 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -77.65 -28.02 51.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.02 -38.31 40.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.55 23.64 1.49 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 13' ' ' ILE . 36.5 mm -79.95 136.66 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -135.1 125.28 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.65 151.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.57 -25.55 20.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -77.11 150.52 35.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG2' ' CG1' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.27 135.5 45.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 82' ' ' THR . 9.3 mm -84.74 119.28 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -105.74 -25.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -146.53 149.1 32.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.0 pp -146.99 146.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.631 HD21 HG13 ' A' ' 78' ' ' VAL . 27.0 m120 34.55 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.45 48.48 77.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -150.38 119.41 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -65.31 122.05 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.04 10.42 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.4 -21.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.22 -29.34 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.597 HG23 ' HD2' ' A' ' 63' ' ' PRO . 90.7 m -53.55 138.05 51.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.688 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.72 152.82 69.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.782 ' NE2' HD11 ' A' ' 68' ' ' ILE . 11.3 t60 -53.41 -53.66 48.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.17 -42.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -79.35 -40.59 29.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -55.81 -32.48 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.782 HD11 ' NE2' ' A' ' 64' ' ' HIS . 47.4 mm -68.63 -34.86 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -72.65 -31.03 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 54' ' ' ILE . 70.0 mt -74.98 -61.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -49.23 -52.96 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 96.6 m -59.1 -37.38 77.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 42.9 mt-10 -64.05 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . . . -88.14 117.91 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -104.24 171.14 7.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.67 -108.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -79.68 133.34 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.384 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG11 ' NH2' ' A' ' 15' ' ' ARG . 62.1 t -131.45 106.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -83.62 106.14 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.588 HD11 ' NH2' ' A' ' 15' ' ' ARG . 71.9 mt -111.29 123.84 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HG2' HG11 ' A' ' 8' ' ' VAL . 20.9 ttmt -96.32 108.37 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 51' ' ' ILE . 50.7 p -96.45 141.95 29.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.53 136.15 11.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.61 -41.28 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.06 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.732 HG22 HD11 ' A' ' 91' ' ' LEU . 27.2 m -54.46 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.9 t80 -36.74 -60.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -52.19 -46.52 65.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.87 -22.95 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 88' ' ' TYR . 15.1 mt -81.02 -38.52 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.3 p -93.9 21.93 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.53 -175.5 37.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -123.55 155.33 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -128.43 82.36 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.8 83.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -99.72 149.04 23.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -73.09 140.31 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.28 -92.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' A' ' 83' ' ' MET . 47.8 t -70.73 143.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 111.091 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -111.41 114.76 28.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 m -96.25 139.11 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mm -117.89 131.08 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.728 HG21 ' CD2' ' A' ' 22' ' ' LEU . 43.6 mm -107.19 125.63 63.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' O ' HG21 ' A' ' 39' ' ' ILE . 18.1 m-70 -83.34 101.86 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD2' HD21 ' A' ' 22' ' ' LEU . 12.6 mtp180 -109.73 79.83 1.51 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -158.7 153.6 24.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -86.5 -59.21 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -34.76 -32.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ALA . 26.6 mm-40 -79.4 142.18 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -73.27 -174.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.79 HD22 ' HE1' ' A' ' 24' ' ' PHE . 6.9 mt -103.86 -41.7 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.52 -42.16 2.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.79 ' HE1' HD22 ' A' ' 22' ' ' LEU . 51.2 p90 -87.19 140.92 29.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.3 t -107.39 127.04 53.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -106.37 136.99 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -126.25 114.3 18.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 54.73 27.81 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.42 41.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -141.12 115.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 45' ' ' ILE . 20.6 mt -59.57 140.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' O ' HG11 ' A' ' 47' ' ' VAL . 4.8 t -121.06 -62.05 1.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -111.78 156.31 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.9 tt -132.79 133.15 43.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 34' ' ' LEU . 6.8 tp -68.3 118.94 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -74.33 120.01 19.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 36.36 8.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.48 -140.02 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 14' ' ' HIS . 8.5 mt -99.17 -51.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -40.19 -65.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -41.57 -34.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -82.13 -32.84 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -71.65 -44.21 49.74 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.95 26.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD11 ' A' ' 13' ' ' ILE . 30.0 mm -85.72 132.16 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -133.02 117.24 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' ILE . 21.2 m -47.77 170.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -37.62 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.81 152.42 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 51' ' ' ILE . 23.3 ttt180 -108.89 148.44 30.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 59' ' ' VAL . 35.5 mm -88.12 131.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 HD13 ' SD ' ' A' ' 83' ' ' MET . 40.1 pt -121.05 -17.32 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.27 154.36 33.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.631 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.4 pp -152.66 124.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.402 HD21 HG13 ' A' ' 78' ' ' VAL . 21.5 m120 51.96 26.93 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 18.66 58.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -119.03 121.63 40.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -63.89 114.22 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 51' ' ' ILE . 35.7 m -104.49 -15.81 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.29 -33.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.73 -32.26 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.9 m -48.6 138.87 11.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 111.171 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.0 Cg_endo -69.8 142.49 47.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.595 ' HA ' HD12 ' A' ' 67' ' ' ILE . 38.3 t60 -38.38 -57.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -34.99 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -55.41 -55.6 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 64' ' ' HIS . 93.4 mt -37.62 -33.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mm -79.19 -53.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -57.2 -50.29 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.6 mt -55.37 -66.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -45.32 -53.29 8.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.5 m -56.58 -45.43 81.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 37.5 mt-10 -60.81 -29.7 69.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.0 119.56 16.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 10.3 m-85 -111.92 171.42 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.45 -122.95 31.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -75.47 110.19 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 55' ' ' ASN . 60.2 t -112.57 112.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.96 116.64 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.3 mt -118.13 111.41 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -84.9 110.68 19.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -99.8 148.98 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.478 ' SD ' HG22 ' A' ' 8' ' ' VAL . 8.0 ttt -159.11 140.54 9.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 122.68 9.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.99 -46.17 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -47.78 -67.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.814 HG22 HD11 ' A' ' 91' ' ' LEU . 35.0 m -50.73 -71.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.86 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.5 t80 -37.66 -64.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -44.98 -44.5 9.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 90' ' ' LEU . 17.3 mt -67.08 -31.48 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 88' ' ' TYR . 10.6 mt -75.09 -33.33 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.1 p -94.24 11.08 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.4 130.03 4.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.86 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -117.64 96.52 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 118.99 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.76 106.95 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -119.4 125.0 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.386 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -123.01 154.51 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.54 -113.78 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' A' ' 81' ' ' LYS . 50.3 t -79.47 124.21 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -79.71 117.43 20.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.1 m -96.92 144.0 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.49 128.87 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.516 HG12 ' CD2' ' A' ' 79' ' ' HIS . 22.6 mt -98.0 141.11 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.45 HG21 HD22 ' A' ' 22' ' ' LEU . 46.7 mm -116.67 135.67 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -100.76 104.45 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.669 ' CG ' HD21 ' A' ' 22' ' ' LEU . 30.2 mtp180 -107.73 80.04 0.92 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.25 9.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.29 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 7.5 t-80 -161.48 142.63 11.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' ARG . . . -93.27 -52.48 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 24.6 mmm-85 -34.35 -38.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ALA . 2.5 pp20? -91.14 139.81 30.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -62.3 -174.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.961 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 mt -103.27 -43.58 5.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.78 -29.53 5.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.961 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 55.0 p90 -92.8 123.74 36.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.15 123.87 34.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.17 138.94 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -131.14 119.47 21.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 52.62 26.77 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.72 18.46 54.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -136.0 116.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.551 HD13 ' CG2' ' A' ' 45' ' ' ILE . 27.1 mt -62.92 137.75 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -115.14 -54.18 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -122.64 157.99 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.7 tt -132.97 136.89 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 34' ' ' LEU . 17.4 tp -66.46 142.6 57.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -83.0 127.44 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.78 47.67 73.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 -146.56 7.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.5 mt -95.1 -54.75 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -34.77 -57.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -56.32 -44.18 79.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 62.8 mtp85 -58.58 -51.76 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.23 -44.24 97.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.25 31.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 31' ' ' ILE . 33.3 mm -81.52 138.35 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -135.85 113.54 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 31' ' ' ILE . 20.3 m -50.87 153.8 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.61 -35.24 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -73.34 152.83 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -107.24 136.73 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.6 mm -79.14 137.34 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -123.53 -20.32 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -151.74 153.03 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.512 ' C ' HD12 ' A' ' 54' ' ' ILE . 1.6 pp -153.11 137.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.701 HD21 HG13 ' A' ' 78' ' ' VAL . 36.2 m120 46.53 29.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.79 39.4 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -141.45 128.98 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.7 p -69.21 119.81 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 m -130.46 25.06 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.446 HG21 ' CZ ' ' A' ' 88' ' ' TYR . 2.7 p -61.63 -33.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.25 -37.1 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 63' ' ' PRO . 86.1 m -40.87 138.33 1.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.3 Cg_endo -69.81 145.39 56.74 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.989 ' CE1' HD11 ' A' ' 68' ' ' ILE . 39.0 t60 -44.66 -53.64 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.6 -54.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -66.52 -44.33 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 64' ' ' HIS . 21.0 mt -50.61 -43.35 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.989 HD11 ' CE1' ' A' ' 64' ' ' HIS . 29.5 mm -62.75 -49.54 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.93 -34.7 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.09 -67.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' O ' ' NH1' ' A' ' 15' ' ' ARG . 23.0 mt -41.46 -43.35 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.4 m -66.53 -46.64 75.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.78 -14.73 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.98 120.57 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.77 162.95 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.47 -121.13 9.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.48 114.74 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.701 HG13 HD21 ' A' ' 55' ' ' ASN . 21.3 t -123.7 104.77 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CD2' HG12 ' A' ' 12' ' ' ILE . 6.3 m170 -76.22 101.55 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.427 HD12 HG13 ' A' ' 13' ' ' ILE . 70.6 mt -103.91 120.79 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' HG2' HG11 ' A' ' 8' ' ' VAL . 7.7 ttmm -96.4 109.13 21.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -96.29 145.39 25.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.412 ' HE3' HG22 ' A' ' 8' ' ' VAL . 3.4 ttt -155.26 136.02 8.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.41 -46.21 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.769 HG22 HD11 ' A' ' 91' ' ' LEU . 52.0 m -44.54 -58.37 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.997 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -46.83 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -45.43 -37.76 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.36 -31.73 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.997 HD12 ' HA ' ' A' ' 88' ' ' TYR . 9.0 mt -69.0 -43.4 74.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.5 p -89.04 23.45 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.98 115.92 8.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -115.45 110.64 19.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -91.78 124.28 35.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.31 -53.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -165.21 174.12 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -62.57 174.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.04 -45.77 5.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 81' ' ' LYS . 58.9 t -105.44 141.86 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -77.36 106.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 m -98.16 121.98 40.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.74 137.14 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.55 136.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 40' ' ' ALA . 20.9 mm -115.13 146.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -109.12 100.23 9.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.595 ' HD2' HG21 ' A' ' 78' ' ' VAL . 86.6 mtt180 -113.92 91.09 20.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -35.1 13.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 3.8 t-80 -118.3 149.98 40.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.83 -31.42 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 73.1 mtt180 -83.93 29.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.06 135.94 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -50.81 170.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 14.7 mt -106.46 -57.62 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.85 -40.28 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 46.0 p90 -98.3 140.98 31.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.44 124.82 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.55 129.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -127.25 110.17 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.99 32.79 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.86 17.54 74.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.774 HD11 ' HE ' ' A' ' 50' ' ' ARG . 96.2 mt -137.71 113.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 111.132 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.573 HD13 ' CG2' ' A' ' 45' ' ' ILE . 10.9 mt -61.64 143.79 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.97 -46.52 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -119.47 156.72 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -141.85 129.81 21.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 34' ' ' LEU . 11.9 tp -66.83 102.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -63.42 119.84 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.16 43.78 5.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.99 -142.51 4.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.453 HG22 HG23 ' A' ' 13' ' ' ILE . 27.4 mt -88.64 -51.65 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -47.68 -67.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.03 -41.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -69.03 -36.23 77.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -68.78 -48.27 50.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.19 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.573 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.1 mm -88.48 135.39 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -126.42 119.73 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 m -58.19 145.47 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.46 -28.6 14.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.39 135.21 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.774 ' HE ' HD11 ' A' ' 30' ' ' ILE . 5.6 tpp85 -89.16 134.62 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.51 HD13 HG22 ' A' ' 82' ' ' THR . 8.8 mm -78.53 141.94 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.0 pt -123.9 -24.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -154.86 139.04 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.1 pp -133.33 133.04 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 45.61 33.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.33 42.91 33.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -145.39 118.49 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 124.48 17.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ALA . 34.9 m -118.77 -12.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -42.7 -24.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -116.77 -41.71 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 63' ' ' PRO . 87.2 m -40.16 139.2 1.05 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.9 Cg_endo -69.72 139.84 41.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.479 ' NE2' HD11 ' A' ' 68' ' ' ILE . 10.7 t60 -38.71 -51.41 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.11 -67.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 1.7 tpp85 -50.28 -54.0 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 64' ' ' HIS . 81.2 mt -42.94 -42.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 64' ' ' HIS . 48.3 mm -66.52 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -41.86 71.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 54' ' ' ILE . 95.8 mt -65.03 -61.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.47 -51.53 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.53 -48.38 81.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.6 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.4 mm-40 -57.05 -32.36 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.76 117.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.48 172.83 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.17 -117.33 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.53 119.05 16.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 ' HD2' ' A' ' 15' ' ' ARG . 45.6 t -121.86 97.91 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -80.81 115.43 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.07 113.94 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' HG2' HG11 ' A' ' 8' ' ' VAL . 16.3 ttmt -86.99 105.94 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 51' ' ' ILE . 6.9 p -97.22 146.13 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 13.4 ttt -151.9 139.25 12.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.691 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 83' ' ' MET . 54.3 Cg_endo -69.73 114.84 3.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -38.18 -39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.8 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.742 HG22 HD11 ' A' ' 91' ' ' LEU . 27.9 m -50.88 -59.48 4.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.846 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.5 t80 -43.42 -59.54 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -49.67 -49.41 47.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.8 mt -57.56 -40.0 77.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 88' ' ' TYR . 5.5 mt -67.36 -41.8 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.7 p -70.86 -31.46 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.45 -139.56 10.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.365 . . . . 0.0 110.963 -179.856 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -117.61 126.83 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 39.46 43.72 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 -118.5 0.51 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.1 p -172.86 148.07 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 36.7 p 36.0 37.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.28 -59.7 10.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 ' HD3' ' A' ' 81' ' ' LYS . 52.2 t -97.66 140.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.5 m -99.66 132.33 45.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -116.36 139.1 50.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.49 146.1 50.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.8 128.42 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.651 HD11 ' CG1' ' A' ' 45' ' ' ILE . 4.1 mm -112.11 159.68 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.681 ' O ' HG21 ' A' ' 39' ' ' ILE . 2.0 m80 -116.38 102.58 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.585 ' CD ' HG21 ' A' ' 78' ' ' VAL . 6.0 mtp-105 -112.84 86.48 8.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.28 22.79 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.4 t-80 -121.59 147.42 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.57 -34.86 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -83.32 26.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 61.9 mm-40 -121.78 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -60.61 173.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.706 HD22 ' HE1' ' A' ' 24' ' ' PHE . 5.5 mt -105.85 -54.97 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.62 -37.69 2.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.706 ' HE1' HD22 ' A' ' 22' ' ' LEU . 47.0 p90 -92.21 132.73 36.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.6 t -97.95 130.73 44.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -107.51 138.64 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -136.64 105.25 5.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t0 71.85 27.33 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.71 68.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.75 123.59 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.553 HD13 ' CG2' ' A' ' 45' ' ' ILE . 13.0 mt -66.01 141.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.77 -58.63 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -111.74 157.65 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.8 tt -134.37 132.89 39.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 34' ' ' LEU . 14.1 tp -67.42 146.37 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -83.26 145.75 28.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.97 44.98 19.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.68 -168.5 18.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.681 HG21 ' O ' ' A' ' 14' ' ' HIS . 3.1 mt -77.6 -40.54 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' ILE . . . -55.05 -69.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ALA . 37.8 tt0 -36.79 -39.44 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -69.63 -48.23 60.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -56.29 -44.75 89.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.96 26.32 0.85 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.651 ' CG1' HD11 ' A' ' 13' ' ' ILE . 14.7 mm -78.22 133.13 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -128.22 118.22 22.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -53.02 166.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.24 -34.61 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -72.41 143.85 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -99.43 146.84 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -90.81 130.29 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' C ' HG22 ' A' ' 59' ' ' VAL . 34.9 pt -113.92 -21.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -159.28 145.63 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 55' ' ' ASN . 1.2 pp -141.43 128.43 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.613 ' HB2' HD12 ' A' ' 54' ' ' ILE . 30.1 m120 54.76 29.37 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.54 21.84 63.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.63 121.01 37.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 m -62.47 115.34 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG22 ' C ' ' A' ' 52' ' ' ILE . 35.6 m -107.09 -13.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -45.35 -24.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.52 -33.52 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 ' HD2' ' A' ' 63' ' ' PRO . 83.7 m -49.59 139.22 15.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.81 141.41 44.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.653 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.9 t60 -36.98 -51.64 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.89 -66.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' ILE . 20.2 mmt-85 -52.4 -54.35 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 64' ' ' HIS . 95.1 mt -38.07 -34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.95 -52.1 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.55 -48.53 79.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.6 mt -55.35 -63.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.2 -51.49 25.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.7 m -56.64 -47.61 79.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 16.1 mt-10 -55.75 -35.54 66.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 15' ' ' ARG . . . -56.77 120.87 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -110.21 170.22 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.43 -119.32 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -72.7 116.69 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.585 HG21 ' CD ' ' A' ' 15' ' ' ARG . 59.5 t -116.29 128.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -100.13 129.48 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -134.27 118.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HD3' HG11 ' A' ' 8' ' ' VAL . 15.3 ttmt -94.78 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 p -94.74 149.18 21.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -153.28 137.09 10.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 117.08 4.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.31 -41.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.85 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 91' ' ' LEU . 5.3 m -53.8 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.9 t80 -41.73 -67.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 mtm105 -48.11 -42.8 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.84 -36.04 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 88' ' ' TYR . 11.7 mt -70.36 -44.2 68.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.6 p -69.8 -23.04 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -115.64 -147.49 9.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.907 -179.861 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -83.82 126.42 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -54.45 -59.16 5.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.55 106.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -112.75 96.64 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -132.06 158.99 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.75 -80.11 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t -100.39 127.45 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.9 m -79.84 115.73 19.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.4 m -107.65 133.06 52.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.52 140.62 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -112.37 136.36 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 40' ' ' ALA . 44.6 mm -112.16 140.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -108.53 101.47 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 12.5 mtm105 -110.71 81.7 2.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.635 0.731 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -10.28 28.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 2.1 t-80 -136.68 148.11 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.42 -32.89 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 44.4 mtp85 -84.02 29.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 132.6 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -54.1 178.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 11.1 mt -107.56 -45.97 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 -43.47 1.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.832 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 34.7 p90 -91.84 138.71 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.0 t -104.39 119.25 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -101.02 132.07 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -125.25 114.04 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 57.2 28.81 15.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.19 19.04 56.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.93 118.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 51' ' ' ILE . 10.1 mt -64.79 138.48 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.77 -47.63 2.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.38 151.89 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 40' ' ' ALA . 2.6 tt -133.09 131.15 40.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 34' ' ' LEU . 15.5 tp -70.64 111.35 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -71.59 114.11 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.7 37.57 4.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.91 -137.56 4.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.439 HG22 HG23 ' A' ' 13' ' ' ILE . 5.2 mt -96.72 -41.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -56.05 -66.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' N ' HD21 ' A' ' 34' ' ' LEU . 10.3 tm-20 -45.83 -41.66 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -67.89 -40.86 83.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.18 86.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.59 29.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -87.61 141.04 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -132.45 122.54 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.2 158.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.78 -19.46 20.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -84.96 137.58 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -97.01 138.81 33.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD11 HD11 ' A' ' 31' ' ' ILE . 16.7 mm -78.86 139.66 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -123.96 -15.72 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -162.58 146.64 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.6 pp -144.19 124.92 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 m120 51.65 26.77 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.5 20.97 53.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -117.6 120.94 39.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -67.23 109.58 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -105.06 -1.45 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.2 -26.27 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.56 15.99 10.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 63' ' ' PRO . 92.1 m -101.24 138.48 19.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 111.131 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.75 141.41 45.19 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.515 ' NE2' HD11 ' A' ' 68' ' ' ILE . 6.9 t60 -39.32 -55.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.89 -63.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -55.01 -48.48 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 64' ' ' HIS . 87.8 mt -47.16 -40.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 64' ' ' HIS . 23.3 mm -66.74 -34.12 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.57 -29.65 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 54' ' ' ILE . 35.2 mt -77.8 -64.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -45.52 -44.17 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -67.07 -41.21 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.89 -12.48 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.39 112.53 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 2.9 m-85 -106.29 167.95 9.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.43 -118.45 14.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.8 98.98 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.59 108.68 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.47 119.17 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.68 119.79 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -90.78 109.12 20.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.1 p -99.16 147.5 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.96 137.06 9.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.97 6.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -42.28 -42.89 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.984 HG22 HD11 ' A' ' 91' ' ' LEU . 44.9 m -50.79 -67.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -38.12 -63.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -48.12 -42.9 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.08 -33.15 75.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.984 HD11 HG22 ' A' ' 87' ' ' THR . 5.0 mt -77.48 -30.08 52.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.3 p -91.99 18.36 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.94 172.68 16.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -126.77 87.3 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.8 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 p -134.44 118.47 17.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.87 131.55 2.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -64.88 130.96 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -144.64 136.51 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.84 -54.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.845 HG11 HD11 ' A' ' 52' ' ' ILE . 45.9 t -78.92 139.09 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.9 m -93.21 125.61 37.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -111.74 138.72 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 79' ' ' HIS . 38.9 mm -114.47 139.85 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 14' ' ' HIS . 6.7 mm -117.7 160.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.554 ' N ' HG22 ' A' ' 13' ' ' ILE . 19.6 m-70 -118.36 101.44 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -110.75 84.23 4.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -18.0 37.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.2 t-80 -126.42 154.22 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.41 -36.63 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -83.9 28.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 8.4 mm-40 -122.64 139.35 54.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -68.86 -177.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.705 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 10.7 mt -110.62 -36.76 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.26 -35.83 4.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 51.2 p90 -97.61 142.8 28.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.66 131.0 55.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -111.57 126.19 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -118.12 109.92 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 62.41 32.38 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 19.7 63.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 49' ' ' HIS . 1.3 mt -137.03 114.36 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 47' ' ' VAL . 18.2 mt -62.79 138.73 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -118.81 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -108.19 156.78 18.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.1 tt -140.77 129.02 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 34' ' ' LEU . 13.9 tp -68.44 98.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -62.68 94.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.57 -28.74 4.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' HA3' HD23 ' A' ' 35' ' ' LEU . . . -61.02 -148.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG21 ' O ' ' A' ' 14' ' ' HIS . 4.2 mt -87.51 -32.23 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB2' ' HD1' ' A' ' 24' ' ' PHE . . . -55.34 -68.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' HD21 ' A' ' 34' ' ' LEU . 13.4 tt0 -45.7 -50.03 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -60.38 -33.33 72.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.09 -44.43 23.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.22 40.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 13' ' ' ILE . 33.5 mm -89.5 143.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -130.83 119.88 22.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 31' ' ' ILE . 33.4 m -68.15 158.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.49 84.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' ILE . 8.9 m170 -92.18 171.1 9.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -119.38 141.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 80' ' ' ILE . 48.3 mm -89.55 118.24 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG11 ' A' ' 8' ' ' VAL . 22.0 pt -106.22 -28.36 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -149.61 151.9 34.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 70' ' ' LEU . 2.2 pp -148.22 144.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 38.02 36.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.04 38.67 55.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.526 HE22 HD22 ' A' ' 70' ' ' LEU . 18.9 mt-30 -139.0 123.09 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 111.19 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.73 10.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 p -44.47 -43.02 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.96 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.652 HG23 ' HD2' ' A' ' 63' ' ' PRO . 99.0 m -44.24 138.79 3.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.7 Cg_endo -69.76 141.8 46.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 2.4 t60 -41.32 -55.37 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -35.81 -58.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.18 -50.93 71.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 64' ' ' HIS . 69.9 mt -44.59 -43.47 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 64' ' ' HIS . 45.8 mm -60.91 -52.85 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -52.77 -38.62 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 HE22 ' A' ' 57' ' ' GLN . 95.1 mt -67.64 -64.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -42.37 -42.68 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.2 m -70.92 -41.03 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.39 -12.6 44.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.05 117.17 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 4.5 m-85 -108.24 170.13 8.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.57 -112.85 2.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.25 91.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.13 102.39 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CG ' HD12 ' A' ' 12' ' ' ILE . 6.6 m170 -79.04 137.88 37.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 51' ' ' ILE . 60.9 mt -136.81 115.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.442 ' HZ2' ' CG1' ' A' ' 8' ' ' VAL . 3.5 tptp -85.19 112.78 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 p -105.33 147.07 28.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -155.11 137.16 9.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.534 0.683 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -39.86 -41.92 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.55 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.538 HG22 HD11 ' A' ' 91' ' ' LEU . 89.1 m -40.1 -64.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.995 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -43.5 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -42.69 -41.72 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.4 -29.54 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.995 HD12 ' HA ' ' A' ' 88' ' ' TYR . 26.4 mt -68.26 -46.06 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 t -99.53 23.7 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.89 125.19 27.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -179.864 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -171.59 120.74 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -66.69 -51.73 52.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -73.2 0.24 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -51.29 145.42 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -129.96 122.68 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.72 -53.15 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG11 ' HG2' ' A' ' 81' ' ' LYS . 4.9 t -123.87 143.37 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -91.68 126.23 36.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 11' ' ' ALA . 49.0 m -120.12 156.96 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 10' ' ' THR . . . -137.79 162.65 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mm -123.45 118.39 54.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 45' ' ' ILE . 17.3 mm -102.67 144.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -114.45 103.03 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' NH1' ' HB ' ' A' ' 13' ' ' ILE . 37.5 mtt85 -107.19 84.59 1.73 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 -32.83 18.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 2.1 t-80 -128.08 150.39 49.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.39 -31.34 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -83.26 26.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' HIS . 6.1 mm-40 -122.16 131.5 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -49.58 174.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 17.2 mt -109.02 -61.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' CA ' ' HB3' ' A' ' 35' ' ' LEU . . . 124.24 -47.07 1.04 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 22' ' ' LEU . 42.8 p90 -85.81 135.73 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -103.6 125.18 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.68 139.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -134.55 112.84 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.0 27.83 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.02 56.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.488 HD11 ' HE ' ' A' ' 50' ' ' ARG . 86.1 mt -139.54 118.45 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' CG2' ' A' ' 45' ' ' ILE . 14.9 mt -64.58 138.53 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.3 m -116.18 -49.23 2.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -125.81 155.28 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -132.66 127.19 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' CA ' ' A' ' 23' ' ' GLY . 9.2 tp -66.83 102.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.96 115.87 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.26 30.89 6.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.99 -151.25 8.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 6.8 mt -86.52 -57.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.337 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -34.78 -62.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -43.57 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -54.7 -42.71 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.64 -43.69 98.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.1 28.39 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 31' ' ' ILE . 26.2 mm -82.28 133.5 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -126.43 123.25 37.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.53 140.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.67 37.5 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -118.78 138.54 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HE ' HD11 ' A' ' 30' ' ' ILE . 2.1 tpp85 -89.63 135.6 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG22 ' A' ' 82' ' ' THR . 37.7 mm -82.13 132.16 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.89 -11.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -156.57 148.44 22.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.547 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.2 pp -149.33 135.71 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 38.18 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 82.46 38.13 13.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 54' ' ' ILE . 15.7 mm-40 -140.93 124.6 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.4 p -67.92 120.94 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.84 20.53 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 88' ' ' TYR . 2.1 p -57.95 -28.29 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.98 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HD2' ' A' ' 63' ' ' PRO . 94.3 m -43.56 139.01 2.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.73 158.13 58.05 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.68 ' CE1' HD11 ' A' ' 68' ' ' ILE . 2.3 t60 -52.98 -55.1 26.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.62 -59.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -61.56 -37.05 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 64' ' ' HIS . 57.8 mt -61.24 -30.94 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.68 HD11 ' CE1' ' A' ' 64' ' ' HIS . 28.3 mm -71.44 -47.63 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.33 -36.28 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 54' ' ' ILE . 12.5 mt -67.04 -68.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.47 -47.6 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.9 m -65.45 -39.84 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 17.1 mt-10 -60.55 -23.22 64.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.38 118.86 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -112.77 167.42 10.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.52 -124.34 8.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -80.53 110.37 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -117.59 129.24 74.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' CE1' ' CD1' ' A' ' 12' ' ' ILE . 11.0 m-70 -102.23 113.12 26.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.451 HD12 HG13 ' A' ' 13' ' ' ILE . 23.1 mt -112.4 121.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' A' ' 8' ' ' VAL . 14.1 ttmt -95.12 107.93 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 51' ' ' ILE . 45.3 p -96.36 144.75 26.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.3 tpt -149.56 137.08 11.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 116.54 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -37.87 -38.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.23 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.4 m -41.64 -66.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.642 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -40.35 -62.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -47.26 -38.95 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.13 -29.34 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 88' ' ' TYR . 69.4 mt -69.75 -46.38 66.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -86.21 21.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.96 -129.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.919 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 p -60.63 127.26 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -58.68 126.78 29.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.25 117.25 1.97 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -66.94 101.49 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 p -56.19 -55.38 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.86 -92.42 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG11 ' HE2' ' A' ' 81' ' ' LYS . 93.3 t -78.9 139.5 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.2 m -87.97 112.48 22.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.6 m -103.91 137.71 41.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.95 138.68 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mt -111.57 141.39 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.806 HG21 ' CD2' ' A' ' 22' ' ' LEU . 24.4 mm -116.27 128.95 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.549 ' O ' HG21 ' A' ' 39' ' ' ILE . 5.9 m80 -84.41 104.74 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -116.74 78.87 9.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.23 13.64 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.651 ' CE1' ' NH2' ' A' ' 19' ' ' ARG . 8.0 t-80 -157.37 157.99 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -90.82 -61.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.651 ' NH2' ' CE1' ' A' ' 17' ' ' HIS . 25.2 mtm105 -34.79 -32.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 18' ' ' ALA . 52.4 mm-40 -77.51 136.56 38.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -72.88 -174.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.806 ' CD2' HG21 ' A' ' 13' ' ' ILE . 6.2 mt -106.33 -56.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.34 -32.96 3.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.714 ' HE2' HD22 ' A' ' 22' ' ' LEU . 50.8 p90 -95.49 140.71 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -107.83 127.47 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -103.33 129.65 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -120.7 110.88 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.76 27.41 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.44 20.07 52.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.458 HG12 ' CG ' ' A' ' 50' ' ' ARG . 36.8 mt -142.04 118.68 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.414 HG22 HG12 ' A' ' 47' ' ' VAL . 20.2 mt -57.94 142.39 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 t -120.31 -57.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.2 p -121.04 149.87 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.5 tt -124.86 137.2 54.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 34' ' ' LEU . 12.7 tp -71.16 114.19 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -77.63 100.01 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.87 40.49 0.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.96 -144.77 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 ' O ' ' A' ' 14' ' ' HIS . 10.2 mt -87.63 -47.97 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 34' ' ' LEU . . . -39.85 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -42.35 -47.42 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -59.13 -34.1 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -75.97 -44.97 17.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.529 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.74 22.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.751 ' CG1' HD11 ' A' ' 13' ' ' ILE . 32.5 mm -70.14 129.23 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -125.55 110.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 31' ' ' ILE . 10.3 m -54.11 164.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.92 -31.86 5.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -77.78 153.36 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.8 tmm_? -108.27 128.53 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.8 mm -67.66 135.06 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.75 -21.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -153.98 158.1 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.647 ' O ' HD12 ' A' ' 54' ' ' ILE . 2.0 pp -150.54 129.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.48 HD21 HG13 ' A' ' 78' ' ' VAL . 8.9 m120 45.7 32.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.93 28.68 40.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -129.72 126.13 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -70.94 118.88 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 20.4 m -109.21 -20.0 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' OH ' ' A' ' 88' ' ' TYR . 2.5 p -35.86 -31.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' VAL . . . -107.88 -25.47 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 63' ' ' PRO . 98.4 m -56.83 138.97 78.01 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.578 0.704 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 62' ' ' THR . 53.8 Cg_endo -69.71 139.91 41.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.853 ' HA ' HD12 ' A' ' 67' ' ' ILE . 35.5 t60 -38.24 -59.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' HIS . . . -36.83 -60.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -56.51 -48.05 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 64' ' ' HIS . 76.0 mt -46.36 -48.04 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.52 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.81 -42.06 97.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.09 -68.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt -41.74 -38.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.8 m -72.77 -46.89 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.58 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 8.4 mt-10 -61.64 -27.57 68.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.87 114.48 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 73' ' ' GLU . 5.8 m-85 -107.43 168.88 8.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.16 -127.64 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -74.68 109.13 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG13 HD21 ' A' ' 55' ' ' ASN . 59.7 t -107.52 103.79 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -80.63 102.56 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.419 HG13 HG12 ' A' ' 78' ' ' VAL . 97.6 mt -102.24 113.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.529 ' HE2' HG11 ' A' ' 8' ' ' VAL . 16.6 tttt -87.08 106.11 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -97.78 131.83 43.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.64 137.12 22.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 120.36 7.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.228 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -43.31 -42.25 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.97 -66.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.7 m -47.74 -63.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.39 -62.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -47.99 -40.14 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.12 -21.98 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 88' ' ' TYR . 48.3 mt -77.71 -41.4 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.1 p -78.9 2.54 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.35 143.05 20.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.907 . . . . . . . . 0 0 . 1 stop_ save_